9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine

C70H46N4 — CID 58273829

IUPAC9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine
SMILESc1ccc2c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c4ccccc4c(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C70H46N4/c1-3-23-53-47(19-1)21-17-37-63(53)73(51-43-39-49(40-44-51)71-65-33-13-9-25-55(65)56-26-10-14-34-66(56)71)69-59-29-5-7-31-61(59)70(62-32-8-6-30-60(62)69)74(64-38-18-22-48-20-2-4-24-54(48)64)52-45-41-50(42-46-52)72-67-35-15-11-27-57(67)58-28-12-16-36-68(58)72/h1-46H
InChIKeyWIUJCVTUYAEGLI-UHFFFAOYSA-N
MW943.17 g/mol
LogP19.43
Rot. Bonds8

About 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine

9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine (PubChem CID 58273829) has the molecular formula C70H46N4 and a molecular weight of 943.17 g/mol. Its IUPAC name is 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine
PubChem CID58273829
Molecular FormulaC70H46N4
Molecular Weight943.17 g/mol
Exact Mass942.37
IUPAC Name9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine
SMILESc1ccc2c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c4ccccc4c(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C70H46N4/c1-3-23-53-47(19-1)21-17-37-63(53)73(51-43-39-49(40-44-51)71-65-33-13-9-25-55(65)56-26-10-14-34-66(56)71)69-59-29-5-7-31-61(59)70(62-32-8-6-30-60(62)69)74(64-38-18-22-48-20-2-4-24-54(48)64)52-45-41-50(42-46-52)72-67-35-15-11-27-57(67)58-28-12-16-36-68(58)72/h1-46H
InChIKeyWIUJCVTUYAEGLI-UHFFFAOYSA-N
XLogP19.43
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.17
LogP ≤ 519.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
N-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 90128459
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine
CID 58273929
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
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
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
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-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenyl-N-[4-[3,5,7-tris[4-(N-naphthalen-1-ylanilino)phenyl]-1-adamantyl]phenyl]naphthalen-1-amine
CID 158382722

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine (CID 58273829) is 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine is c1ccc2c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c4ccccc4c(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine?
The InChIKey is WIUJCVTUYAEGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N4/c1-3-23-53-47(19-1)21-17-37-63(53)73(51-43-39-49(40-44-51)71-65-33-13-9-25-55(65)56-26-10-14-34-66(56)71)69-59-29-5-7-31-61(59)70(62-32-8-6-30-60(62)69)74(64-38-18-22-48-20-2-4-24-54(48)64)52-45-41-50(42-46-52)72-67-35-15-11-27-57(67)58-28-12-16-36-68(58)72/h1-46H.
What are the key properties of 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine?
9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine has a molecular weight of 943.17 g/mol, XLogP of 19.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine is sourced from PubChem (CID 58273829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).