9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine

C78H50N4 — CID 58273929

IUPAC9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine
SMILESc1ccc2c(N(c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c3c4ccccc4c(N(c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C78H50N4/c1-5-29-57-51(21-1)25-17-41-69(57)79(55-45-47-75-67(49-55)61-33-13-15-39-73(61)81(75)71-43-19-27-53-23-3-7-31-59(53)71)77-63-35-9-11-37-65(63)78(66-38-12-10-36-64(66)77)80(70-42-18-26-52-22-2-6-30-58(52)70)56-46-48-76-68(50-56)62-34-14-16-40-74(62)82(76)72-44-20-28-54-24-4-8-32-60(54)72/h1-50H
InChIKeyNRVMIBNNIMKLRX-UHFFFAOYSA-N
MW1043.29 g/mol
LogP21.74
Rot. Bonds8

About 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine

9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine (PubChem CID 58273929) has the molecular formula C78H50N4 and a molecular weight of 1043.29 g/mol. Its IUPAC name is 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine
PubChem CID58273929
Molecular FormulaC78H50N4
Molecular Weight1043.29 g/mol
Exact Mass1042.40
IUPAC Name9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine
SMILESc1ccc2c(N(c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c3c4ccccc4c(N(c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C78H50N4/c1-5-29-57-51(21-1)25-17-41-69(57)79(55-45-47-75-67(49-55)61-33-13-15-39-73(61)81(75)71-43-19-27-53-23-3-7-31-59(53)71)77-63-35-9-11-37-65(63)78(66-38-12-10-36-64(66)77)80(70-42-18-26-52-22-2-6-30-58(52)70)56-46-48-76-68(50-56)62-34-14-16-40-74(62)82(76)72-44-20-28-54-24-4-8-32-60(54)72/h1-50H
InChIKeyNRVMIBNNIMKLRX-UHFFFAOYSA-N
XLogP21.74
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.29
LogP ≤ 521.74
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

3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine
CID 58273829
1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
CID 88673327
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
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-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-amine
CID 59260051
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine
CID 168809163
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118289313

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine (CID 58273929) is 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine is c1ccc2c(N(c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c3c4ccccc4c(N(c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c4cccc5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine?
The InChIKey is NRVMIBNNIMKLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N4/c1-5-29-57-51(21-1)25-17-41-69(57)79(55-45-47-75-67(49-55)61-33-13-15-39-73(61)81(75)71-43-19-27-53-23-3-7-31-59(53)71)77-63-35-9-11-37-65(63)78(66-38-12-10-36-64(66)77)80(70-42-18-26-52-22-2-6-30-58(52)70)56-46-48-76-68(50-56)62-34-14-16-40-74(62)82(76)72-44-20-28-54-24-4-8-32-60(54)72/h1-50H.
What are the key properties of 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine?
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine has a molecular weight of 1043.29 g/mol, XLogP of 21.74, 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-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine is sourced from PubChem (CID 58273929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).