N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine

C46H30N2 — CID 129208279

IUPACN-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c5c(n(-c6ccccc6)c4c3)-c3cccc4cccc-5c34)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H30N2/c1-3-18-35(19-4-1)47(42-26-12-14-31-13-7-8-23-38(31)42)37-22-9-17-33(29-37)34-27-28-39-43(30-34)48(36-20-5-2-6-21-36)46-41-25-11-16-32-15-10-24-40(44(32)41)45(39)46/h1-30H
InChIKeyBXQSTURVHHBVJQ-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.72
Rot. Bonds5

About N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine

N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine (PubChem CID 129208279) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine
PubChem CID129208279
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC NameN-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c5c(n(-c6ccccc6)c4c3)-c3cccc4cccc-5c34)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H30N2/c1-3-18-35(19-4-1)47(42-26-12-14-31-13-7-8-23-38(31)42)37-22-9-17-33(29-37)34-27-28-39-43(30-34)48(36-20-5-2-6-21-36)46-41-25-11-16-32-15-10-24-40(44(32)41)45(39)46/h1-30H
InChIKeyBXQSTURVHHBVJQ-UHFFFAOYSA-N
XLogP12.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine with MolForge

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Related Compounds

N-[4-[4-(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 129208384
N-(3-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303122
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 168789650
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-(3-naphthalen-1-ylphenyl)-3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168789220
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 169065210
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine (CID 129208279) is N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine is c1ccc(N(c2cccc(-c3ccc4c5c(n(-c6ccccc6)c4c3)-c3cccc4cccc-5c34)c2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine?
The InChIKey is BXQSTURVHHBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-18-35(19-4-1)47(42-26-12-14-31-13-7-8-23-38(31)42)37-22-9-17-33(29-37)34-27-28-39-43(30-34)48(36-20-5-2-6-21-36)46-41-25-11-16-32-15-10-24-40(44(32)41)45(39)46/h1-30H.
What are the key properties of N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine?
N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine has a molecular weight of 610.76 g/mol, XLogP of 12.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 129208279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).