9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine

C48H35N3 — CID 148860377

IUPAC9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine
SMILESCc1cccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)c4ccccc4n5-c4cccc(C)c4)c4cccc5ccccc45)ccc32)c1
InChIInChI=1S/C48H35N3/c1-32-12-9-16-35(28-32)50-45-21-7-5-19-40(45)42-30-37(24-26-47(42)50)49(44-23-11-15-34-14-3-4-18-39(34)44)38-25-27-48-43(31-38)41-20-6-8-22-46(41)51(48)36-17-10-13-33(2)29-36/h3-31H,1-2H3
InChIKeyOZEYCVSSUGSZJJ-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.12
Rot. Bonds5

About 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine

9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine (PubChem CID 148860377) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine
PubChem CID148860377
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine
SMILESCc1cccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)c4ccccc4n5-c4cccc(C)c4)c4cccc5ccccc45)ccc32)c1
InChIInChI=1S/C48H35N3/c1-32-12-9-16-35(28-32)50-45-21-7-5-19-40(45)42-30-37(24-26-47(42)50)49(44-23-11-15-34-14-3-4-18-39(34)44)38-25-27-48-43(31-38)41-20-6-8-22-46(41)51(48)36-17-10-13-33(2)29-36/h3-31H,1-2H3
InChIKeyOZEYCVSSUGSZJJ-UHFFFAOYSA-N
XLogP13.12
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 169065449
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
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
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
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
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
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine?
The IUPAC name of 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine (CID 148860377) is 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine.
What is the SMILES notation for 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine?
The canonical SMILES for 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine is Cc1cccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)c4ccccc4n5-c4cccc(C)c4)c4cccc5ccccc45)ccc32)c1.
What is the InChIKey of 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine?
The InChIKey is OZEYCVSSUGSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-32-12-9-16-35(28-32)50-45-21-7-5-19-40(45)42-30-37(24-26-47(42)50)49(44-23-11-15-34-14-3-4-18-39(34)44)38-25-27-48-43(31-38)41-20-6-8-22-46(41)51(48)36-17-10-13-33(2)29-36/h3-31H,1-2H3.
What are the key properties of 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine?
9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine has a molecular weight of 653.83 g/mol, XLogP of 13.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine is sourced from PubChem (CID 148860377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).