N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine

C43H32N6 — CID 131737534

IUPACN-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESCc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3N(c3ccccc3)c3cccc4ccccc34)c12
InChIInChI=1S/C43H32N6/c1-29-39-41(36-26-14-15-27-38(36)47(32-19-6-3-7-20-32)37-28-16-18-31-17-12-13-25-35(31)37)40-30(2)46-49(34-23-10-5-11-24-34)43(40)44-42(39)48(45-29)33-21-8-4-9-22-33/h3-28H,1-2H3
InChIKeyJSOPZLSYWZCQAB-UHFFFAOYSA-N
MW632.77 g/mol
LogP10.67
Rot. Bonds6

About N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine

N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 131737534) has the molecular formula C43H32N6 and a molecular weight of 632.77 g/mol. Its IUPAC name is N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID131737534
Molecular FormulaC43H32N6
Molecular Weight632.77 g/mol
Exact Mass632.27
IUPAC NameN-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESCc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3N(c3ccccc3)c3cccc4ccccc34)c12
InChIInChI=1S/C43H32N6/c1-29-39-41(36-26-14-15-27-38(36)47(32-19-6-3-7-20-32)37-28-16-18-31-17-12-13-25-35(31)37)40-30(2)46-49(34-23-10-5-11-24-34)43(40)44-42(39)48(45-29)33-21-8-4-9-22-33/h3-28H,1-2H3
InChIKeyJSOPZLSYWZCQAB-UHFFFAOYSA-N
XLogP10.67
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.77
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281
3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene
CID 102196244
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
18,18'-dimethyl-16,16',20,20'-tetraphenyl-10,10'-spirobi[14,16,17-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene]
CID 164681043
2-(3,5-dimethyl-1,4-diphenylpyrazolo[5,4-b]pyridin-6-yl)benzo[f]chromen-3-one
CID 150484079
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine (CID 131737534) is N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine is Cc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3N(c3ccccc3)c3cccc4ccccc34)c12.
What is the InChIKey of N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is JSOPZLSYWZCQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N6/c1-29-39-41(36-26-14-15-27-38(36)47(32-19-6-3-7-20-32)37-28-16-18-31-17-12-13-25-35(31)37)40-30(2)46-49(34-23-10-5-11-24-34)43(40)44-42(39)48(45-29)33-21-8-4-9-22-33/h3-28H,1-2H3.
What are the key properties of N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine?
N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 632.77 g/mol, XLogP of 10.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 131737534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).