N,N-diphenyl-7H-benzo[a]phenalen-3-amine

C29H21N — CID 175195276

IUPACN,N-diphenyl-7H-benzo[a]phenalen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)Cc2ccccc2-3)cc1
InChIInChI=1S/C29H21N/c1-3-12-23(13-4-1)30(24-14-5-2-6-15-24)28-19-18-26-25-16-8-7-10-21(25)20-22-11-9-17-27(28)29(22)26/h1-19H,20H2
InChIKeyOGXAZKIRYJJSAN-UHFFFAOYSA-N
MW383.49 g/mol
LogP7.88
Rot. Bonds3

About N,N-diphenyl-7H-benzo[a]phenalen-3-amine

N,N-diphenyl-7H-benzo[a]phenalen-3-amine (PubChem CID 175195276) has the molecular formula C29H21N and a molecular weight of 383.49 g/mol. Its IUPAC name is N,N-diphenyl-7H-benzo[a]phenalen-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-7H-benzo[a]phenalen-3-amine
PubChem CID175195276
Molecular FormulaC29H21N
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC NameN,N-diphenyl-7H-benzo[a]phenalen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)Cc2ccccc2-3)cc1
InChIInChI=1S/C29H21N/c1-3-12-23(13-4-1)30(24-14-5-2-6-15-24)28-19-18-26-25-16-8-7-10-21(25)20-22-11-9-17-27(28)29(22)26/h1-19H,20H2
InChIKeyOGXAZKIRYJJSAN-UHFFFAOYSA-N
XLogP7.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[9,9-dimethyl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(4-methylphenyl)-7H-benzo[a]phenalen-4-amine
CID 91214788
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
CID 153308803
1-N,6-N-bis(9H-fluoren-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 166866292
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
CID 156512724
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
CID 67365900
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-amine
CID 146509754

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-7H-benzo[a]phenalen-3-amine?
The IUPAC name of N,N-diphenyl-7H-benzo[a]phenalen-3-amine (CID 175195276) is N,N-diphenyl-7H-benzo[a]phenalen-3-amine.
What is the SMILES notation for N,N-diphenyl-7H-benzo[a]phenalen-3-amine?
The canonical SMILES for N,N-diphenyl-7H-benzo[a]phenalen-3-amine is c1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)Cc2ccccc2-3)cc1.
What is the InChIKey of N,N-diphenyl-7H-benzo[a]phenalen-3-amine?
The InChIKey is OGXAZKIRYJJSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N/c1-3-12-23(13-4-1)30(24-14-5-2-6-15-24)28-19-18-26-25-16-8-7-10-21(25)20-22-11-9-17-27(28)29(22)26/h1-19H,20H2.
What are the key properties of N,N-diphenyl-7H-benzo[a]phenalen-3-amine?
N,N-diphenyl-7H-benzo[a]phenalen-3-amine has a molecular weight of 383.49 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-7H-benzo[a]phenalen-3-amine is sourced from PubChem (CID 175195276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).