9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine

C46H35N3 — CID 53433854

IUPAC9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
SMILESCCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc21
InChIInChI=1S/C46H35N3/c1-2-47-43-29-27-37(48(35-19-5-3-6-20-35)45-25-13-17-33-15-9-11-23-39(33)45)31-41(43)42-32-38(28-30-44(42)47)49(36-21-7-4-8-22-36)46-26-14-18-34-16-10-12-24-40(34)46/h3-32H,2H2,1H3
InChIKeyIQBRROIGZZVJIQ-UHFFFAOYSA-N
MW629.81 g/mol
LogP13.06
Rot. Bonds7

About 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine

9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine (PubChem CID 53433854) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
PubChem CID53433854
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC Name9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
SMILESCCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc21
InChIInChI=1S/C46H35N3/c1-2-47-43-29-27-37(48(35-19-5-3-6-20-35)45-25-13-17-33-15-9-11-23-39(33)45)31-41(43)42-32-38(28-30-44(42)47)49(36-21-7-4-8-22-36)46-26-14-18-34-16-10-12-24-40(34)46/h3-32H,2H2,1H3
InChIKeyIQBRROIGZZVJIQ-UHFFFAOYSA-N
XLogP13.06
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
9-ethyl-3-N-[5-[2-methyl-4-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 134387493
9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 130271558
N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine
CID 134217242
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine?
The IUPAC name of 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine (CID 53433854) is 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine.
What is the SMILES notation for 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine?
The canonical SMILES for 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine is CCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc21.
What is the InChIKey of 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine?
The InChIKey is IQBRROIGZZVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3/c1-2-47-43-29-27-37(48(35-19-5-3-6-20-35)45-25-13-17-33-15-9-11-23-39(33)45)31-41(43)42-32-38(28-30-44(42)47)49(36-21-7-4-8-22-36)46-26-14-18-34-16-10-12-24-40(34)46/h3-32H,2H2,1H3.
What are the key properties of 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine?
9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine has a molecular weight of 629.81 g/mol, XLogP of 13.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine is sourced from PubChem (CID 53433854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).