9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine

C118H76N8 — CID 126631722

IUPAC9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine
SMILESc1cc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc54)c3)n2)cc(-n2c3ccccc3c3cc(N(c4cccc5ccccc45)c4cccc5ccccc45)ccc32)c1
InChIInChI=1S/C118H76N8/c1-7-46-92-77(28-1)34-22-58-106(92)124(107-59-23-35-78-29-2-8-47-93(78)107)89-64-67-115-101(73-89)98-52-13-16-55-112(98)121(115)86-43-19-40-83(70-86)104-76-105(84-41-20-44-87(71-84)122-113-56-17-14-53-99(113)102-74-90(65-68-116(102)122)125(108-60-24-36-79-30-3-9-48-94(79)108)109-61-25-37-80-31-4-10-49-95(80)109)120-118(119-104)85-42-21-45-88(72-85)123-114-57-18-15-54-100(114)103-75-91(66-69-117(103)123)126(110-62-26-38-81-32-5-11-50-96(81)110)111-63-27-39-82-33-6-12-51-97(82)111/h1-76H
InChIKeyZLSGIJUWDSAQPJ-UHFFFAOYSA-N
MW1605.96 g/mol
LogP32.10
Rot. Bonds15

About 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine

9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine (PubChem CID 126631722) has the molecular formula C118H76N8 and a molecular weight of 1605.96 g/mol. Its IUPAC name is 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine
PubChem CID126631722
Molecular FormulaC118H76N8
Molecular Weight1605.96 g/mol
Exact Mass1604.62
IUPAC Name9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine
SMILESc1cc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc54)c3)n2)cc(-n2c3ccccc3c3cc(N(c4cccc5ccccc45)c4cccc5ccccc45)ccc32)c1
InChIInChI=1S/C118H76N8/c1-7-46-92-77(28-1)34-22-58-106(92)124(107-59-23-35-78-29-2-8-47-93(78)107)89-64-67-115-101(73-89)98-52-13-16-55-112(98)121(115)86-43-19-40-83(70-86)104-76-105(84-41-20-44-87(71-84)122-113-56-17-14-53-99(113)102-74-90(65-68-116(102)122)125(108-60-24-36-79-30-3-9-48-94(79)108)109-61-25-37-80-31-4-10-49-95(80)109)120-118(119-104)85-42-21-45-88(72-85)123-114-57-18-15-54-100(114)103-75-91(66-69-117(103)123)126(110-62-26-38-81-32-5-11-50-96(81)110)111-63-27-39-82-33-6-12-51-97(82)111/h1-76H
InChIKeyZLSGIJUWDSAQPJ-UHFFFAOYSA-N
XLogP32.10
TPSA50.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001605.96
LogP ≤ 532.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine
CID 148860377
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine
CID 134236708
9-[3-[6-(3-carbazol-9-ylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-4-yl]phenyl]carbazole;9-[3-[2-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]phenyl]carbazole;N,N-diphenyl-3-[6-phenyl-2-[4-phenyl-6-[3-(N-phenylanilino)phenyl]pyrimidin-2-yl]pyrimidin-4-yl]aniline;2-(4,6-diphenylpyrimidin-2-yl)-4,6-diphenylpyrimidine
CID 158020152
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(3-phenylphenyl)-4-N-[9-(3-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 177116835
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
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine
CID 126631752
2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 130452686

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine?
The IUPAC name of 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine (CID 126631722) is 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine.
What is the SMILES notation for 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine?
The canonical SMILES for 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine is c1cc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc54)c3)n2)cc(-n2c3ccccc3c3cc(N(c4cccc5ccccc45)c4cccc5ccccc45)ccc32)c1.
What is the InChIKey of 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine?
The InChIKey is ZLSGIJUWDSAQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H76N8/c1-7-46-92-77(28-1)34-22-58-106(92)124(107-59-23-35-78-29-2-8-47-93(78)107)89-64-67-115-101(73-89)98-52-13-16-55-112(98)121(115)86-43-19-40-83(70-86)104-76-105(84-41-20-44-87(71-84)122-113-56-17-14-53-99(113)102-74-90(65-68-116(102)122)125(108-60-24-36-79-30-3-9-48-94(79)108)109-61-25-37-80-31-4-10-49-95(80)109)120-118(119-104)85-42-21-45-88(72-85)123-114-57-18-15-54-100(114)103-75-91(66-69-117(103)123)126(110-62-26-38-81-32-5-11-50-96(81)110)111-63-27-39-82-33-6-12-51-97(82)111/h1-76H.
What are the key properties of 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine?
9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine has a molecular weight of 1605.96 g/mol, XLogP of 32.10, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine is sourced from PubChem (CID 126631722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).