N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine

C44H30N2 — CID 176588168

IUPACN-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc3ccccc3cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C44H30N2/c1-3-18-34(19-4-1)45(36-26-27-40-39-23-11-12-25-42(39)46(44(40)30-36)35-20-5-2-6-21-35)43-29-33-16-8-7-15-32(33)28-41(43)38-24-13-17-31-14-9-10-22-37(31)38/h1-30H
InChIKeyZONMZAWITNNIMY-UHFFFAOYSA-N
MW586.74 g/mol
LogP12.23
Rot. Bonds5

About N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine

N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine (PubChem CID 176588168) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine
PubChem CID176588168
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC NameN-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc3ccccc3cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C44H30N2/c1-3-18-34(19-4-1)45(36-26-27-40-39-23-11-12-25-42(39)46(44(40)30-36)35-20-5-2-6-21-35)43-29-33-16-8-7-15-32(33)28-41(43)38-24-13-17-31-14-9-10-22-37(31)38/h1-30H
InChIKeyZONMZAWITNNIMY-UHFFFAOYSA-N
XLogP12.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 177097182
1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 170410465
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
2-chloro-1-N,3-N-diphenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 118220371
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
CID 170138928
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 169010481
1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
CID 164838059
5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
CID 162770398
N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177098641
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 158749383

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine (CID 176588168) is N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine is c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc3ccccc3cc2-c2cccc3ccccc23)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine?
The InChIKey is ZONMZAWITNNIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-3-18-34(19-4-1)45(36-26-27-40-39-23-11-12-25-42(39)46(44(40)30-36)35-20-5-2-6-21-35)43-29-33-16-8-7-15-32(33)28-41(43)38-24-13-17-31-14-9-10-22-37(31)38/h1-30H.
What are the key properties of N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine?
N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine has a molecular weight of 586.74 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 176588168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).