N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine

C36H23N — CID 23534512

IUPACN-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2c3ccccc3c3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C36H23N/c1-2-14-25(15-3-1)37(33-23-10-13-24-12-4-5-16-26(24)33)36-31-20-9-8-19-30(31)34-28-18-7-6-17-27(28)29-21-11-22-32(36)35(29)34/h1-23H
InChIKeyIVINGULVSRAWOS-UHFFFAOYSA-N
MW469.59 g/mol
LogP10.26
Rot. Bonds3

About N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine

N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine (PubChem CID 23534512) has the molecular formula C36H23N and a molecular weight of 469.59 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine
PubChem CID23534512
Molecular FormulaC36H23N
Molecular Weight469.59 g/mol
Exact Mass469.18
IUPAC NameN-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2c3ccccc3c3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C36H23N/c1-2-14-25(15-3-1)37(33-23-10-13-24-12-4-5-16-26(24)33)36-31-20-9-8-19-30(31)34-28-18-7-6-17-27(28)29-21-11-22-32(36)35(29)34/h1-23H
InChIKeyIVINGULVSRAWOS-UHFFFAOYSA-N
XLogP10.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
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
10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303869
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
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155304537
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine?
The IUPAC name of N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine (CID 23534512) is N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine?
The canonical SMILES for N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine is c1ccc(N(c2cccc3ccccc23)c2c3ccccc3c3c4c(cccc24)-c2ccccc2-3)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine?
The InChIKey is IVINGULVSRAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N/c1-2-14-25(15-3-1)37(33-23-10-13-24-12-4-5-16-26(24)33)36-31-20-9-8-19-30(31)34-28-18-7-6-17-27(28)29-21-11-22-32(36)35(29)34/h1-23H.
What are the key properties of N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine?
N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine has a molecular weight of 469.59 g/mol, XLogP of 10.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine is sourced from PubChem (CID 23534512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).