N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C303H234N12 — CID 140820310

IUPACN-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCCCCCCCCC1c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(CCCCCCCC)c8cc(-c%10ccc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11)cc%10)ccc8-9)cc7)c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(CCCCCCCC)c8cc(-c%10ccc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11)cc%10)ccc8-9)cc7)c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C303H234N12/c1-4-7-10-13-16-46-79-265-280-193-226(211-100-148-250(149-101-211)304(247-142-94-208(95-143-247)205-61-28-19-29-62-205)256-160-112-217(113-161-256)232-136-184-298-286(199-232)274-82-49-55-88-292(274)310(298)241-67-34-22-35-68-241)130-178-268(280)271-181-133-229(196-283(265)271)214-106-154-253(155-107-214)307(259-166-118-220(119-167-259)235-139-187-301-289(202-235)277-85-52-58-91-295(277)313(301)244-73-40-25-41-74-244)262-172-124-223(125-173-262)238-190-239(224-126-174-263(175-127-224)308(260-168-120-221(121-169-260)236-140-188-302-290(203-236)278-86-53-59-92-296(278)314(302)245-75-42-26-43-76-245)254-156-108-215(109-157-254)230-134-182-272-269-179-131-227(194-281(269)266(284(272)197-230)80-47-17-14-11-8-5-2)212-102-150-251(151-103-212)305(248-144-96-209(97-145-248)206-63-30-20-31-64-206)257-162-114-218(115-163-257)233-137-185-299-287(200-233)275-83-50-56-89-293(275)311(299)242-69-36-23-37-70-242)192-240(191-238)225-128-176-264(177-129-225)309(261-170-122-222(123-171-261)237-141-189-303-291(204-237)279-87-54-60-93-297(279)315(303)246-77-44-27-45-78-246)255-158-110-216(111-159-255)231-135-183-273-270-180-132-228(195-282(270)267(285(273)198-231)81-48-18-15-12-9-6-3)213-104-152-252(153-105-213)306(249-146-98-210(99-147-249)207-65-32-21-33-66-207)258-164-116-219(117-165-258)234-138-186-300-288(201-234)276-84-51-57-90-294(276)312(300)243-71-38-24-39-72-243/h19-45,49-78,82-204,265-267H,4-18,46-48,79-81H2,1-3H3
InChIKeyLISBFYRDSSQNSR-UHFFFAOYSA-N
MW4043.29 g/mol
LogP85.68
Rot. Bonds63

About N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 140820310) has the molecular formula C303H234N12 and a molecular weight of 4043.29 g/mol. Its IUPAC name is N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID140820310
Molecular FormulaC303H234N12
Molecular Weight4043.29 g/mol
Exact Mass4039.87
IUPAC NameN-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCCCCCCCCC1c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(CCCCCCCC)c8cc(-c%10ccc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11)cc%10)ccc8-9)cc7)c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(CCCCCCCC)c8cc(-c%10ccc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11)cc%10)ccc8-9)cc7)c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C303H234N12/c1-4-7-10-13-16-46-79-265-280-193-226(211-100-148-250(149-101-211)304(247-142-94-208(95-143-247)205-61-28-19-29-62-205)256-160-112-217(113-161-256)232-136-184-298-286(199-232)274-82-49-55-88-292(274)310(298)241-67-34-22-35-68-241)130-178-268(280)271-181-133-229(196-283(265)271)214-106-154-253(155-107-214)307(259-166-118-220(119-167-259)235-139-187-301-289(202-235)277-85-52-58-91-295(277)313(301)244-73-40-25-41-74-244)262-172-124-223(125-173-262)238-190-239(224-126-174-263(175-127-224)308(260-168-120-221(121-169-260)236-140-188-302-290(203-236)278-86-53-59-92-296(278)314(302)245-75-42-26-43-76-245)254-156-108-215(109-157-254)230-134-182-272-269-179-131-227(194-281(269)266(284(272)197-230)80-47-17-14-11-8-5-2)212-102-150-251(151-103-212)305(248-144-96-209(97-145-248)206-63-30-20-31-64-206)257-162-114-218(115-163-257)233-137-185-299-287(200-233)275-83-50-56-89-293(275)311(299)242-69-36-23-37-70-242)192-240(191-238)225-128-176-264(177-129-225)309(261-170-122-222(123-171-261)237-141-189-303-291(204-237)279-87-54-60-93-297(279)315(303)246-77-44-27-45-78-246)255-158-110-216(111-159-255)231-135-183-273-270-180-132-228(195-282(270)267(285(273)198-231)81-48-18-15-12-9-6-3)213-104-152-252(153-105-213)306(249-146-98-210(99-147-249)207-65-32-21-33-66-207)258-164-116-219(117-165-258)234-138-186-300-288(201-234)276-84-51-57-90-294(276)312(300)243-71-38-24-39-72-243/h19-45,49-78,82-204,265-267H,4-18,46-48,79-81H2,1-3H3
InChIKeyLISBFYRDSSQNSR-UHFFFAOYSA-N
XLogP85.68
TPSA49.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds63
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004043.29
LogP ≤ 585.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline
CID 155323196
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103160
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 140820310) is N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is CCCCCCCCC1c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(CCCCCCCC)c8cc(-c%10ccc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11)cc%10)ccc8-9)cc7)c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(CCCCCCCC)c8cc(-c%10ccc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11)cc%10)ccc8-9)cc7)c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc21.
What is the InChIKey of N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is LISBFYRDSSQNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C303H234N12/c1-4-7-10-13-16-46-79-265-280-193-226(211-100-148-250(149-101-211)304(247-142-94-208(95-143-247)205-61-28-19-29-62-205)256-160-112-217(113-161-256)232-136-184-298-286(199-232)274-82-49-55-88-292(274)310(298)241-67-34-22-35-68-241)130-178-268(280)271-181-133-229(196-283(265)271)214-106-154-253(155-107-214)307(259-166-118-220(119-167-259)235-139-187-301-289(202-235)277-85-52-58-91-295(277)313(301)244-73-40-25-41-74-244)262-172-124-223(125-173-262)238-190-239(224-126-174-263(175-127-224)308(260-168-120-221(121-169-260)236-140-188-302-290(203-236)278-86-53-59-92-296(278)314(302)245-75-42-26-43-76-245)254-156-108-215(109-157-254)230-134-182-272-269-179-131-227(194-281(269)266(284(272)197-230)80-47-17-14-11-8-5-2)212-102-150-251(151-103-212)305(248-144-96-209(97-145-248)206-63-30-20-31-64-206)257-162-114-218(115-163-257)233-137-185-299-287(200-233)275-83-50-56-89-293(275)311(299)242-69-36-23-37-70-242)192-240(191-238)225-128-176-264(177-129-225)309(261-170-122-222(123-171-261)237-141-189-303-291(204-237)279-87-54-60-93-297(279)315(303)246-77-44-27-45-78-246)255-158-110-216(111-159-255)231-135-183-273-270-180-132-228(195-282(270)267(285(273)198-231)81-48-18-15-12-9-6-3)213-104-152-252(153-105-213)306(249-146-98-210(99-147-249)207-65-32-21-33-66-207)258-164-116-219(117-165-258)234-138-186-300-288(201-234)276-84-51-57-90-294(276)312(300)243-71-38-24-39-72-243/h19-45,49-78,82-204,265-267H,4-18,46-48,79-81H2,1-3H3.
What are the key properties of N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 4043.29 g/mol, XLogP of 85.68, 63 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[4-[N-[4-[3,5-bis[4-[4-[9-octyl-7-[4-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-9H-fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9-octyl-9H-fluoren-2-yl]phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 140820310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).