CID 162446856

C40H27N2Se — CID 162446856

IUPAC—
SMILES[Se]c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3ccccc23)cc1-c1ccccc1
InChIInChI=1S/C40H27N2Se/c43-40-25-23-31(26-36(40)29-12-3-1-4-13-29)41(37-21-11-15-28-14-7-8-18-33(28)37)32-22-24-35-34-19-9-10-20-38(34)42(39(35)27-32)30-16-5-2-6-17-30/h1-27H
InChIKeyVBJXYDQIJKTFKH-UHFFFAOYSA-N
MW614.63 g/mol
LogP9.87
Rot. Bonds5

About CID 162446856

CID 162446856 (PubChem CID 162446856) has the molecular formula C40H27N2Se and a molecular weight of 614.63 g/mol.

Molecular Properties

Compound NameCID 162446856
PubChem CID162446856
Molecular FormulaC40H27N2Se
Molecular Weight614.63 g/mol
Exact Mass615.13
IUPAC Name—
SMILES[Se]c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3ccccc23)cc1-c1ccccc1
InChIInChI=1S/C40H27N2Se/c43-40-25-23-31(26-36(40)29-12-3-1-4-13-29)41(37-21-11-15-28-14-7-8-18-33(28)37)32-22-24-35-34-19-9-10-20-38(34)42(39(35)27-32)30-16-5-2-6-17-30/h1-27H
InChIKeyVBJXYDQIJKTFKH-UHFFFAOYSA-N
XLogP9.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.63
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
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
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 167412869
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 169065210
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine
CID 121328079
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627
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
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258182
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258400

Frequently Asked Questions

What is the IUPAC name of CID 162446856?
The IUPAC name of CID 162446856 (CID 162446856) is not available.
What is the SMILES notation for CID 162446856?
The canonical SMILES for CID 162446856 is [Se]c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3ccccc23)cc1-c1ccccc1.
What is the InChIKey of CID 162446856?
The InChIKey is VBJXYDQIJKTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N2Se/c43-40-25-23-31(26-36(40)29-12-3-1-4-13-29)41(37-21-11-15-28-14-7-8-18-33(28)37)32-22-24-35-34-19-9-10-20-38(34)42(39(35)27-32)30-16-5-2-6-17-30/h1-27H.
What are the key properties of CID 162446856?
CID 162446856 has a molecular weight of 614.63 g/mol, XLogP of 9.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162446856 is sourced from PubChem (CID 162446856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).