10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine

C30H22N2 — CID 91020941

IUPAC10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine
SMILESNc1c2ccccc2c(N(c2ccccc2)c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C30H22N2/c31-29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)32(23-12-2-1-3-13-23)24-19-18-21-10-4-5-11-22(21)20-24/h1-20H,31H2
InChIKeyCQLFIUSHADSECZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.20
Rot. Bonds3

About 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine

10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine (PubChem CID 91020941) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine.

Molecular Properties

Compound Name10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine
PubChem CID91020941
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine
SMILESNc1c2ccccc2c(N(c2ccccc2)c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C30H22N2/c31-29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)32(23-12-2-1-3-13-23)24-19-18-21-10-4-5-11-22(21)20-24/h1-20H,31H2
InChIKeyCQLFIUSHADSECZ-UHFFFAOYSA-N
XLogP8.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298
9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
CID 90194200
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59270571
7-N,7-N,12-N,12-N-tetraphenylbenzo[a]anthracene-7,12-diamine
CID 59133281
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
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 159750359
10-N-(10-aminophenanthren-9-yl)-10-N-phenylphenanthrene-9,10-diamine
CID 163323306

Frequently Asked Questions

What is the IUPAC name of 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine?
The IUPAC name of 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine (CID 91020941) is 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine.
What is the SMILES notation for 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine?
The canonical SMILES for 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine is Nc1c2ccccc2c(N(c2ccccc2)c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine?
The InChIKey is CQLFIUSHADSECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c31-29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)32(23-12-2-1-3-13-23)24-19-18-21-10-4-5-11-22(21)20-24/h1-20H,31H2.
What are the key properties of 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine?
10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine has a molecular weight of 410.52 g/mol, XLogP of 8.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-naphthalen-2-yl-10-N-phenylanthracene-9,10-diamine is sourced from PubChem (CID 91020941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).