N,N-diphenyl-3,4-dihydrochrysen-6-amine

C30H23N — CID 89056693

IUPACN,N-diphenyl-3,4-dihydrochrysen-6-amine
SMILESC1=Cc2ccc3c(cc(N(c4ccccc4)c4ccccc4)c4ccccc43)c2CC1
InChIInChI=1S/C30H23N/c1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)30-21-29-25-16-8-7-11-22(25)19-20-27(29)26-17-9-10-18-28(26)30/h1-7,9-15,17-21H,8,16H2
InChIKeyZILYQSUVROSFDL-UHFFFAOYSA-N
MW397.52 g/mol
LogP8.42
Rot. Bonds3

About N,N-diphenyl-3,4-dihydrochrysen-6-amine

N,N-diphenyl-3,4-dihydrochrysen-6-amine (PubChem CID 89056693) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is N,N-diphenyl-3,4-dihydrochrysen-6-amine.

Molecular Properties

Compound NameN,N-diphenyl-3,4-dihydrochrysen-6-amine
PubChem CID89056693
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC NameN,N-diphenyl-3,4-dihydrochrysen-6-amine
SMILESC1=Cc2ccc3c(cc(N(c4ccccc4)c4ccccc4)c4ccccc43)c2CC1
InChIInChI=1S/C30H23N/c1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)30-21-29-25-16-8-7-11-22(25)19-20-27(29)26-17-9-10-18-28(26)30/h1-7,9-15,17-21H,8,16H2
InChIKeyZILYQSUVROSFDL-UHFFFAOYSA-N
XLogP8.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-N-cyclohexa-1,3-dien-1-yl-6-N,6-N,12-N-triphenyl-3,4-dihydrochrysene-6,12-diamine
CID 89065106
6-N-(5,6-dihydrophenanthren-9-yl)-12-N-phenanthren-9-yl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 89187245
N-(4-tert-butylphenyl)-8-(7,8-dihydronaphthalen-1-yl)-N-phenylbenzo[c]phenanthren-5-amine
CID 89086339
ethane;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 91063235
6-nitro-3,4-dihydrochrysene
CID 15509514
2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189614
2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 59793119
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158981468
6-N,12-N-bis(4-fluorophenyl)-6-N,12-N-diphenylchrysene-6,12-diamine
CID 58050655
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
1-N-(7,8-dihydronaphthalen-1-yl)-3-N,3-N-dinaphthalen-1-yl-1-N-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaen-4-yl)benzene-1,3-diamine
CID 163642989
N-(4-tert-butylphenyl)-8-naphthalen-2-yl-N-phenyl-9,10-dihydrobenzo[c]phenanthren-5-amine
CID 89086165

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3,4-dihydrochrysen-6-amine?
The IUPAC name of N,N-diphenyl-3,4-dihydrochrysen-6-amine (CID 89056693) is N,N-diphenyl-3,4-dihydrochrysen-6-amine.
What is the SMILES notation for N,N-diphenyl-3,4-dihydrochrysen-6-amine?
The canonical SMILES for N,N-diphenyl-3,4-dihydrochrysen-6-amine is C1=Cc2ccc3c(cc(N(c4ccccc4)c4ccccc4)c4ccccc43)c2CC1.
What is the InChIKey of N,N-diphenyl-3,4-dihydrochrysen-6-amine?
The InChIKey is ZILYQSUVROSFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)30-21-29-25-16-8-7-11-22(25)19-20-27(29)26-17-9-10-18-28(26)30/h1-7,9-15,17-21H,8,16H2.
What are the key properties of N,N-diphenyl-3,4-dihydrochrysen-6-amine?
N,N-diphenyl-3,4-dihydrochrysen-6-amine has a molecular weight of 397.52 g/mol, XLogP of 8.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3,4-dihydrochrysen-6-amine is sourced from PubChem (CID 89056693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).