3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

C111H75N9 — CID 126631662

IUPAC3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c4)n3)c2)cc1
InChIInChI=1S/C111H75N9/c1-7-31-85(32-8-1)115(91-61-52-76(53-62-91)79-58-67-100-97-46-19-22-49-103(97)118(106(100)73-79)88-37-13-4-14-38-88)94-43-25-28-82(70-94)109-112-110(83-29-26-44-95(71-83)116(86-33-9-2-10-34-86)92-63-54-77(55-64-92)80-59-68-101-98-47-20-23-50-104(98)119(107(101)74-80)89-39-15-5-16-40-89)114-111(113-109)84-30-27-45-96(72-84)117(87-35-11-3-12-36-87)93-65-56-78(57-66-93)81-60-69-102-99-48-21-24-51-105(99)120(108(102)75-81)90-41-17-6-18-42-90/h1-75H
InChIKeyWPJQKFQDIYXWES-UHFFFAOYSA-N
MW1534.88 g/mol
LogP29.57
Rot. Bonds18

About 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 126631662) has the molecular formula C111H75N9 and a molecular weight of 1534.88 g/mol. Its IUPAC name is 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID126631662
Molecular FormulaC111H75N9
Molecular Weight1534.88 g/mol
Exact Mass1533.61
IUPAC Name3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c4)n3)c2)cc1
InChIInChI=1S/C111H75N9/c1-7-31-85(32-8-1)115(91-61-52-76(53-62-91)79-58-67-100-97-46-19-22-49-103(97)118(106(100)73-79)88-37-13-4-14-38-88)94-43-25-28-82(70-94)109-112-110(83-29-26-44-95(71-83)116(86-33-9-2-10-34-86)92-63-54-77(55-64-92)80-59-68-101-98-47-20-23-50-104(98)119(107(101)74-80)89-39-15-5-16-40-89)114-111(113-109)84-30-27-45-96(72-84)117(87-35-11-3-12-36-87)93-65-56-78(57-66-93)81-60-69-102-99-48-21-24-51-105(99)120(108(102)75-81)90-41-17-6-18-42-90/h1-75H
InChIKeyWPJQKFQDIYXWES-UHFFFAOYSA-N
XLogP29.57
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001534.88
LogP ≤ 529.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157474914
N,N-diphenyl-3-[3-(2-phenylcarbazol-9-yl)phenyl]aniline
CID 121312804
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
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
CID 163848012
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-[3-[4,6-bis[3-[(9-phenylcarbazol-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-1-amine;N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-2-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-amine
CID 160756163
N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 162220599
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 126631662) is 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c4)n3)c2)cc1.
What is the InChIKey of 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is WPJQKFQDIYXWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H75N9/c1-7-31-85(32-8-1)115(91-61-52-76(53-62-91)79-58-67-100-97-46-19-22-49-103(97)118(106(100)73-79)88-37-13-4-14-38-88)94-43-25-28-82(70-94)109-112-110(83-29-26-44-95(71-83)116(86-33-9-2-10-34-86)92-63-54-77(55-64-92)80-59-68-101-98-47-20-23-50-104(98)119(107(101)74-80)89-39-15-5-16-40-89)114-111(113-109)84-30-27-45-96(72-84)117(87-35-11-3-12-36-87)93-65-56-78(57-66-93)81-60-69-102-99-48-21-24-51-105(99)120(108(102)75-81)90-41-17-6-18-42-90/h1-75H.
What are the key properties of 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 1534.88 g/mol, XLogP of 29.57, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 126631662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).