CID 146819337

C30H20BN — CID 146819337

IUPAC—
SMILES[B]c1ccc(N(c2ccc3ccccc3c2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C30H20BN/c31-24-14-17-25(18-15-24)32(26-16-13-21-7-1-2-8-22(21)19-26)30-20-23-9-3-4-10-27(23)28-11-5-6-12-29(28)30/h1-20H
InChIKeyIHGDLPSCXIFCQC-UHFFFAOYSA-N
MW405.31 g/mol
LogP7.41
Rot. Bonds3

About CID 146819337

CID 146819337 (PubChem CID 146819337) has the molecular formula C30H20BN and a molecular weight of 405.31 g/mol.

Molecular Properties

Compound NameCID 146819337
PubChem CID146819337
Molecular FormulaC30H20BN
Molecular Weight405.31 g/mol
Exact Mass405.17
IUPAC Name—
SMILES[B]c1ccc(N(c2ccc3ccccc3c2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C30H20BN/c31-24-14-17-25(18-15-24)32(26-16-13-21-7-1-2-8-22(21)19-26)30-20-23-9-3-4-10-27(23)28-11-5-6-12-29(28)30/h1-20H
InChIKeyIHGDLPSCXIFCQC-UHFFFAOYSA-N
XLogP7.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]phenanthren-9-amine
CID 89067533
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
CID 59690812
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
2-bromo-1-N,3-N-dinaphthalen-2-yl-1-N,3-N-di(phenanthren-9-yl)benzene-1,3-diamine
CID 164533977
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine
CID 59431968
N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 164774155
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N,N-bis(4-tert-butylphenyl)phenanthren-9-amine
CID 177481694
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-phenylphenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163586209

Frequently Asked Questions

What is the IUPAC name of CID 146819337?
The IUPAC name of CID 146819337 (CID 146819337) is not available.
What is the SMILES notation for CID 146819337?
The canonical SMILES for CID 146819337 is [B]c1ccc(N(c2ccc3ccccc3c2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of CID 146819337?
The InChIKey is IHGDLPSCXIFCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BN/c31-24-14-17-25(18-15-24)32(26-16-13-21-7-1-2-8-22(21)19-26)30-20-23-9-3-4-10-27(23)28-11-5-6-12-29(28)30/h1-20H.
What are the key properties of CID 146819337?
CID 146819337 has a molecular weight of 405.31 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146819337 is sourced from PubChem (CID 146819337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).