3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine

C80H53N5 — CID 59132913

IUPAC3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
SMILESc1ccc(-c2ccc(-n3c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)cc4c4cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C80H53N5/c1-4-20-54(21-5-1)55-38-40-60(41-39-55)85-79-48-44-63(81(73-36-18-24-56-22-10-12-30-65(56)73)61-42-46-77-69(50-61)67-32-14-16-34-75(67)83(77)58-26-6-2-7-27-58)52-71(79)72-53-64(45-49-80(72)85)82(74-37-19-25-57-23-11-13-31-66(57)74)62-43-47-78-70(51-62)68-33-15-17-35-76(68)84(78)59-28-8-3-9-29-59/h1-53H
InChIKeyULDSQPNWMZXNQK-UHFFFAOYSA-N
MW1084.34 g/mol
LogP21.89
Rot. Bonds10

About 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine

3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine (PubChem CID 59132913) has the molecular formula C80H53N5 and a molecular weight of 1084.34 g/mol. Its IUPAC name is 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
PubChem CID59132913
Molecular FormulaC80H53N5
Molecular Weight1084.34 g/mol
Exact Mass1083.43
IUPAC Name3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
SMILESc1ccc(-c2ccc(-n3c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)cc4c4cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C80H53N5/c1-4-20-54(21-5-1)55-38-40-60(41-39-55)85-79-48-44-63(81(73-36-18-24-56-22-10-12-30-65(56)73)61-42-46-77-69(50-61)67-32-14-16-34-75(67)83(77)58-26-6-2-7-27-58)52-71(79)72-53-64(45-49-80(72)85)82(74-37-19-25-57-23-11-13-31-66(57)74)62-43-47-78-70(51-62)68-33-15-17-35-76(68)84(78)59-28-8-3-9-29-59/h1-53H
InChIKeyULDSQPNWMZXNQK-UHFFFAOYSA-N
XLogP21.89
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.34
LogP ≤ 521.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-naphthalen-1-yl-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
CID 59720491
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 169065449
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol
CID 147446176
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine?
The IUPAC name of 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) is 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine?
The canonical SMILES for 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine is c1ccc(-c2ccc(-n3c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)cc4c4cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)ccc43)cc2)cc1.
What is the InChIKey of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine?
The InChIKey is ULDSQPNWMZXNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H53N5/c1-4-20-54(21-5-1)55-38-40-60(41-39-55)85-79-48-44-63(81(73-36-18-24-56-22-10-12-30-65(56)73)61-42-46-77-69(50-61)67-32-14-16-34-75(67)83(77)58-26-6-2-7-27-58)52-71(79)72-53-64(45-49-80(72)85)82(74-37-19-25-57-23-11-13-31-66(57)74)62-43-47-78-70(51-62)68-33-15-17-35-76(68)84(78)59-28-8-3-9-29-59/h1-53H.
What are the key properties of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine?
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine has a molecular weight of 1084.34 g/mol, XLogP of 21.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 59132913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).