N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine

C46H30N2 — CID 176722974

IUPACN-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine
SMILESc1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c4ccc5ccc6ccccc6c5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H30N2/c1-3-13-35(14-4-1)47(37-24-27-40-34(29-37)22-20-31-11-7-9-17-39(31)40)38-25-28-42-43-26-23-33-21-19-32-12-8-10-18-41(32)45(33)46(43)48(44(42)30-38)36-15-5-2-6-16-36/h1-30H
InChIKeyGCLKKQORYKBQMG-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.87
Rot. Bonds4

About N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine

N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine (PubChem CID 176722974) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine
PubChem CID176722974
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC NameN-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine
SMILESc1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c4ccc5ccc6ccccc6c5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H30N2/c1-3-13-35(14-4-1)47(37-24-27-40-34(29-37)22-20-31-11-7-9-17-39(31)40)38-25-28-42-43-26-23-33-21-19-32-12-8-10-18-41(32)45(33)46(43)48(44(42)30-38)36-15-5-2-6-16-36/h1-30H
InChIKeyGCLKKQORYKBQMG-UHFFFAOYSA-N
XLogP12.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-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

1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 170410465
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N,9-diphenylcarbazol-2-amine
CID 167413075
N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795994
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167195599
N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 170139000
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 163869323
N,10-diphenyl-N-(4-phenylphenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 158437493

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine?
The IUPAC name of N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine (CID 176722974) is N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine.
What is the SMILES notation for N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine?
The canonical SMILES for N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine is c1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c4ccc5ccc6ccccc6c5c4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine?
The InChIKey is GCLKKQORYKBQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-13-35(14-4-1)47(37-24-27-40-34(29-37)22-20-31-11-7-9-17-39(31)40)38-25-28-42-43-26-23-33-21-19-32-12-8-10-18-41(32)45(33)46(43)48(44(42)30-38)36-15-5-2-6-16-36/h1-30H.
What are the key properties of N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine?
N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine has a molecular weight of 610.76 g/mol, XLogP of 12.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine is sourced from PubChem (CID 176722974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).