CID 171445447

C43H32NSe — CID 171445447

IUPAC—
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc([Se])c(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C43H32NSe/c1-43(2)40-15-9-8-14-37(40)38-24-22-36(28-41(38)43)44(34-20-18-31(19-21-34)29-10-4-3-5-11-29)35-23-25-42(45)39(27-35)33-17-16-30-12-6-7-13-32(30)26-33/h3-28H,1-2H3
InChIKeyJOVSUFGOJVXADJ-UHFFFAOYSA-N
MW641.70 g/mol
LogP10.74
Rot. Bonds5

About CID 171445447

CID 171445447 (PubChem CID 171445447) has the molecular formula C43H32NSe and a molecular weight of 641.70 g/mol.

Molecular Properties

Compound NameCID 171445447
PubChem CID171445447
Molecular FormulaC43H32NSe
Molecular Weight641.70 g/mol
Exact Mass642.17
IUPAC Name—
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc([Se])c(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C43H32NSe/c1-43(2)40-15-9-8-14-37(40)38-24-22-36(28-41(38)43)44(34-20-18-31(19-21-34)29-10-4-3-5-11-29)35-23-25-42(45)39(27-35)33-17-16-30-12-6-7-13-32(30)26-33/h3-28H,1-2H3
InChIKeyJOVSUFGOJVXADJ-UHFFFAOYSA-N
XLogP10.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.70
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-1-naphthalen-2-yl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232049
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 146496873
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358

Frequently Asked Questions

What is the IUPAC name of CID 171445447?
The IUPAC name of CID 171445447 (CID 171445447) is not available.
What is the SMILES notation for CID 171445447?
The canonical SMILES for CID 171445447 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc([Se])c(-c4ccc5ccccc5c4)c3)cc21.
What is the InChIKey of CID 171445447?
The InChIKey is JOVSUFGOJVXADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32NSe/c1-43(2)40-15-9-8-14-37(40)38-24-22-36(28-41(38)43)44(34-20-18-31(19-21-34)29-10-4-3-5-11-29)35-23-25-42(45)39(27-35)33-17-16-30-12-6-7-13-32(30)26-33/h3-28H,1-2H3.
What are the key properties of CID 171445447?
CID 171445447 has a molecular weight of 641.70 g/mol, XLogP of 10.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171445447 is sourced from PubChem (CID 171445447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).