1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole

C225H231N7O8 — CID 87485036

IUPAC1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole
SMILESCCCCC(CC)COc1ccc(-c2ccc3[nH]c4c(-c5ccc(-c6ccc7[nH]c8c(-c9cc(-c%10cccc(-c%11ccccn%11)c%10)cc(-c%10cc(-c%11ccc(-c%12cc(-c%13ccc(OCC(CC)CCCC)cc%13)cc%13c%12[nH]c%12ccc(-c%14ccc(OCC(CC)CCCC)cc%14)cc%12%13)cc%11)cc%11c%10[nH]c%10ccc(-c%12ccc(-c%13cc(-c%14ccc(OCC(CC)CCCC)cc%14)cc%14c%13[nH]c%13ccc(-c%15ccc(OCC(CC)CCCC)cc%15)cc%13%14)cc%12)cc%10%11)c9)cc(-c9ccc(-c%10cc(-c%11ccc(OCC(CC)CCCC)cc%11)cc%11c%10[nH]c%10ccc(-c%12ccc(OCC(CC)CCCC)cc%12)cc%10%11)cc9)cc8c7c6)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1
InChIInChI=1S/C225H231N7O8/c1-17-33-44-146(25-9)138-233-187-93-71-156(72-94-187)173-89-111-214-201(122-173)207-132-179(162-79-101-191(102-80-162)237-142-150(29-13)48-37-21-5)126-195(220(207)227-214)166-63-55-154(56-64-166)171-87-109-218-205(120-171)211-136-183(160-59-67-168(68-60-160)197-128-181(164-83-105-193(106-84-164)239-144-152(31-15)50-39-23-7)134-209-203-124-175(91-113-216(203)229-222(197)209)158-75-97-189(98-76-158)235-140-148(27-11)46-35-19-3)130-199(224(211)231-218)185-117-178(170-52-43-53-177(116-170)213-54-41-42-115-226-213)118-186(119-185)200-131-184(161-61-69-169(70-62-161)198-129-182(165-85-107-194(108-86-165)240-145-153(32-16)51-40-24-8)135-210-204-125-176(92-114-217(204)230-223(198)210)159-77-99-190(100-78-159)236-141-149(28-12)47-36-20-4)137-212-206-121-172(88-110-219(206)232-225(200)212)155-57-65-167(66-58-155)196-127-180(163-81-103-192(104-82-163)238-143-151(30-14)49-38-22-6)133-208-202-123-174(90-112-215(202)228-221(196)208)157-73-95-188(96-74-157)234-139-147(26-10)45-34-18-2/h41-43,52-137,146-153,227-232H,17-40,44-51,138-145H2,1-16H3
InChIKeyKWMONNUXGGVACT-UHFFFAOYSA-N
MW3161.36 g/mol
LogP64.99
Rot. Bonds76

About 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole

1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole (PubChem CID 87485036) has the molecular formula C225H231N7O8 and a molecular weight of 3161.36 g/mol. Its IUPAC name is 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole
PubChem CID87485036
Molecular FormulaC225H231N7O8
Molecular Weight3161.36 g/mol
Exact Mass3158.79
IUPAC Name1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole
SMILESCCCCC(CC)COc1ccc(-c2ccc3[nH]c4c(-c5ccc(-c6ccc7[nH]c8c(-c9cc(-c%10cccc(-c%11ccccn%11)c%10)cc(-c%10cc(-c%11ccc(-c%12cc(-c%13ccc(OCC(CC)CCCC)cc%13)cc%13c%12[nH]c%12ccc(-c%14ccc(OCC(CC)CCCC)cc%14)cc%12%13)cc%11)cc%11c%10[nH]c%10ccc(-c%12ccc(-c%13cc(-c%14ccc(OCC(CC)CCCC)cc%14)cc%14c%13[nH]c%13ccc(-c%15ccc(OCC(CC)CCCC)cc%15)cc%13%14)cc%12)cc%10%11)c9)cc(-c9ccc(-c%10cc(-c%11ccc(OCC(CC)CCCC)cc%11)cc%11c%10[nH]c%10ccc(-c%12ccc(OCC(CC)CCCC)cc%12)cc%10%11)cc9)cc8c7c6)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1
InChIInChI=1S/C225H231N7O8/c1-17-33-44-146(25-9)138-233-187-93-71-156(72-94-187)173-89-111-214-201(122-173)207-132-179(162-79-101-191(102-80-162)237-142-150(29-13)48-37-21-5)126-195(220(207)227-214)166-63-55-154(56-64-166)171-87-109-218-205(120-171)211-136-183(160-59-67-168(68-60-160)197-128-181(164-83-105-193(106-84-164)239-144-152(31-15)50-39-23-7)134-209-203-124-175(91-113-216(203)229-222(197)209)158-75-97-189(98-76-158)235-140-148(27-11)46-35-19-3)130-199(224(211)231-218)185-117-178(170-52-43-53-177(116-170)213-54-41-42-115-226-213)118-186(119-185)200-131-184(161-61-69-169(70-62-161)198-129-182(165-85-107-194(108-86-165)240-145-153(32-16)51-40-24-8)135-210-204-125-176(92-114-217(204)230-223(198)210)159-77-99-190(100-78-159)236-141-149(28-12)47-36-20-4)137-212-206-121-172(88-110-219(206)232-225(200)212)155-57-65-167(66-58-155)196-127-180(163-81-103-192(104-82-163)238-143-151(30-14)49-38-22-6)133-208-202-123-174(90-112-215(202)228-221(196)208)157-73-95-188(96-74-157)234-139-147(26-10)45-34-18-2/h41-43,52-137,146-153,227-232H,17-40,44-51,138-145H2,1-16H3
InChIKeyKWMONNUXGGVACT-UHFFFAOYSA-N
XLogP64.99
TPSA181.47 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds76
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003161.36
LogP ≤ 564.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole?
The IUPAC name of 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole (CID 87485036) is 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole.
What is the SMILES notation for 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole?
The canonical SMILES for 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole is CCCCC(CC)COc1ccc(-c2ccc3[nH]c4c(-c5ccc(-c6ccc7[nH]c8c(-c9cc(-c%10cccc(-c%11ccccn%11)c%10)cc(-c%10cc(-c%11ccc(-c%12cc(-c%13ccc(OCC(CC)CCCC)cc%13)cc%13c%12[nH]c%12ccc(-c%14ccc(OCC(CC)CCCC)cc%14)cc%12%13)cc%11)cc%11c%10[nH]c%10ccc(-c%12ccc(-c%13cc(-c%14ccc(OCC(CC)CCCC)cc%14)cc%14c%13[nH]c%13ccc(-c%15ccc(OCC(CC)CCCC)cc%15)cc%13%14)cc%12)cc%10%11)c9)cc(-c9ccc(-c%10cc(-c%11ccc(OCC(CC)CCCC)cc%11)cc%11c%10[nH]c%10ccc(-c%12ccc(OCC(CC)CCCC)cc%12)cc%10%11)cc9)cc8c7c6)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1.
What is the InChIKey of 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole?
The InChIKey is KWMONNUXGGVACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C225H231N7O8/c1-17-33-44-146(25-9)138-233-187-93-71-156(72-94-187)173-89-111-214-201(122-173)207-132-179(162-79-101-191(102-80-162)237-142-150(29-13)48-37-21-5)126-195(220(207)227-214)166-63-55-154(56-64-166)171-87-109-218-205(120-171)211-136-183(160-59-67-168(68-60-160)197-128-181(164-83-105-193(106-84-164)239-144-152(31-15)50-39-23-7)134-209-203-124-175(91-113-216(203)229-222(197)209)158-75-97-189(98-76-158)235-140-148(27-11)46-35-19-3)130-199(224(211)231-218)185-117-178(170-52-43-53-177(116-170)213-54-41-42-115-226-213)118-186(119-185)200-131-184(161-61-69-169(70-62-161)198-129-182(165-85-107-194(108-86-165)240-145-153(32-16)51-40-24-8)135-210-204-125-176(92-114-217(204)230-223(198)210)159-77-99-190(100-78-159)236-141-149(28-12)47-36-20-4)137-212-206-121-172(88-110-219(206)232-225(200)212)155-57-65-167(66-58-155)196-127-180(163-81-103-192(104-82-163)238-143-151(30-14)49-38-22-6)133-208-202-123-174(90-112-215(202)228-221(196)208)157-73-95-188(96-74-157)234-139-147(26-10)45-34-18-2/h41-43,52-137,146-153,227-232H,17-40,44-51,138-145H2,1-16H3.
What are the key properties of 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole?
1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole has a molecular weight of 3161.36 g/mol, XLogP of 64.99, 76 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole is sourced from PubChem (CID 87485036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).