9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

C177H118N18S — CID 146175669

IUPAC9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)nc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5cc(N(c7ccccc7)c7ccccc7)ccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc(N(c9ccccc9)c9ccc%10c(c9)c9cc(N(c%11ccccc%11)c%11ccccc%11)ccc9n%10-c9ccc%10sc%11ccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)cc%11c%10c9)c8)cc7)n6)c5)cc4)c3)n2)cc1
InChIInChI=1S/C177H118N18S/c1-15-46-121(47-16-1)169-178-170(122-48-17-2-18-49-122)184-177(183-169)131-88-106-167-159(111-131)160-118-152(99-107-168(160)196-167)195-165-104-96-149(190(138-70-35-11-36-71-138)139-72-37-12-38-73-139)115-157(165)158-117-151(98-105-166(158)195)192(141-76-41-14-42-77-141)144-78-44-55-128(109-144)119-80-82-125(83-81-119)173-179-172(124-52-21-4-22-53-124)182-176(186-173)130-57-45-79-145(110-130)194-163-102-95-148(189(136-66-31-9-32-67-136)137-68-33-10-34-69-137)114-155(163)156-116-150(97-103-164(156)194)191(140-74-39-13-40-75-140)142-89-84-120(85-90-142)127-54-43-56-129(108-127)175-181-171(123-50-19-3-20-51-123)180-174(185-175)126-86-91-143(92-87-126)193-161-100-93-146(187(132-58-23-5-24-59-132)133-60-25-6-26-61-133)112-153(161)154-113-147(94-101-162(154)193)188(134-62-27-7-28-63-134)135-64-29-8-30-65-135/h1-118H
InChIKeyAQWMZZYMMAVXHS-UHFFFAOYSA-N
MW2529.08 g/mol
LogP47.06
Rot. Bonds32

About 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (PubChem CID 146175669) has the molecular formula C177H118N18S and a molecular weight of 2529.08 g/mol. Its IUPAC name is 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
PubChem CID146175669
Molecular FormulaC177H118N18S
Molecular Weight2529.08 g/mol
Exact Mass2526.95
IUPAC Name9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)nc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5cc(N(c7ccccc7)c7ccccc7)ccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc(N(c9ccccc9)c9ccc%10c(c9)c9cc(N(c%11ccccc%11)c%11ccccc%11)ccc9n%10-c9ccc%10sc%11ccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)cc%11c%10c9)c8)cc7)n6)c5)cc4)c3)n2)cc1
InChIInChI=1S/C177H118N18S/c1-15-46-121(47-16-1)169-178-170(122-48-17-2-18-49-122)184-177(183-169)131-88-106-167-159(111-131)160-118-152(99-107-168(160)196-167)195-165-104-96-149(190(138-70-35-11-36-71-138)139-72-37-12-38-73-139)115-157(165)158-117-151(98-105-166(158)195)192(141-76-41-14-42-77-141)144-78-44-55-128(109-144)119-80-82-125(83-81-119)173-179-172(124-52-21-4-22-53-124)182-176(186-173)130-57-45-79-145(110-130)194-163-102-95-148(189(136-66-31-9-32-67-136)137-68-33-10-34-69-137)114-155(163)156-116-150(97-103-164(156)194)191(140-74-39-13-40-75-140)142-89-84-120(85-90-142)127-54-43-56-129(108-127)175-181-171(123-50-19-3-20-51-123)180-174(185-175)126-86-91-143(92-87-126)193-161-100-93-146(187(132-58-23-5-24-59-132)133-60-25-6-26-61-133)112-153(161)154-113-147(94-101-162(154)193)188(134-62-27-7-28-63-134)135-64-29-8-30-65-135/h1-118H
InChIKeyAQWMZZYMMAVXHS-UHFFFAOYSA-N
XLogP47.06
TPSA150.24 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002529.08
LogP ≤ 547.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine with MolForge

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 90211166
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-N,N-diphenylaniline
CID 88866654
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158365808
9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole
CID 154624627
N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118462722
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-N,N-diphenylcarbazol-3-amine
CID 90211143
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
4-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211161

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The IUPAC name of 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (CID 146175669) is 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.
What is the SMILES notation for 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The canonical SMILES for 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is c1ccc(-c2nc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)nc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5cc(N(c7ccccc7)c7ccccc7)ccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc(N(c9ccccc9)c9ccc%10c(c9)c9cc(N(c%11ccccc%11)c%11ccccc%11)ccc9n%10-c9ccc%10sc%11ccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)cc%11c%10c9)c8)cc7)n6)c5)cc4)c3)n2)cc1.
What is the InChIKey of 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The InChIKey is AQWMZZYMMAVXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C177H118N18S/c1-15-46-121(47-16-1)169-178-170(122-48-17-2-18-49-122)184-177(183-169)131-88-106-167-159(111-131)160-118-152(99-107-168(160)196-167)195-165-104-96-149(190(138-70-35-11-36-71-138)139-72-37-12-38-73-139)115-157(165)158-117-151(98-105-166(158)195)192(141-76-41-14-42-77-141)144-78-44-55-128(109-144)119-80-82-125(83-81-119)173-179-172(124-52-21-4-22-53-124)182-176(186-173)130-57-45-79-145(110-130)194-163-102-95-148(189(136-66-31-9-32-67-136)137-68-33-10-34-69-137)114-155(163)156-116-150(97-103-164(156)194)191(140-74-39-13-40-75-140)142-89-84-120(85-90-142)127-54-43-56-129(108-127)175-181-171(123-50-19-3-20-51-123)180-174(185-175)126-86-91-143(92-87-126)193-161-100-93-146(187(132-58-23-5-24-59-132)133-60-25-6-26-61-133)112-153(161)154-113-147(94-101-162(154)193)188(134-62-27-7-28-63-134)135-64-29-8-30-65-135/h1-118H.
What are the key properties of 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine has a molecular weight of 2529.08 g/mol, XLogP of 47.06, 32 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is sourced from PubChem (CID 146175669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).