N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine

C60H40N2 — CID 146508802

IUPACN-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccc7c(c(-c8ccccc8)c8ccccn87)c6c5)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C60H40N2/c1-3-12-41(13-4-1)47-17-11-18-48(38-47)42-25-30-51(31-26-42)62(53-34-35-55-50(39-53)24-22-44-14-7-8-19-54(44)55)52-32-27-43(28-33-52)49-23-21-45-29-36-58-60(56(45)40-49)59(46-15-5-2-6-16-46)57-20-9-10-37-61(57)58/h1-40H
InChIKeyKMWJOKZJYDZQHU-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.69
Rot. Bonds7

About N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine

N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine (PubChem CID 146508802) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine
PubChem CID146508802
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccc7c(c(-c8ccccc8)c8ccccn87)c6c5)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C60H40N2/c1-3-12-41(13-4-1)47-17-11-18-48(38-47)42-25-30-51(31-26-42)62(53-34-35-55-50(39-53)24-22-44-14-7-8-19-54(44)55)52-32-27-43(28-33-52)49-23-21-45-29-36-58-60(56(45)40-49)59(46-15-5-2-6-16-46)57-20-9-10-37-61(57)58/h1-40H
InChIKeyKMWJOKZJYDZQHU-UHFFFAOYSA-N
XLogP16.69
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508640
N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 146508656
N-phenanthren-2-yl-N-[4-[3-(12-phenylnaphtho[1,2-b]indolizin-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 146508817
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508892
4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508932
N-phenanthren-2-yl-N-[4-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 146508949
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 169062386
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-2-yl)phenyl]aniline
CID 146508711
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
CID 169064223
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426

Frequently Asked Questions

What is the IUPAC name of N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine?
The IUPAC name of N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine (CID 146508802) is N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccc7c(c(-c8ccccc8)c8ccccn87)c6c5)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine?
The InChIKey is KMWJOKZJYDZQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-3-12-41(13-4-1)47-17-11-18-48(38-47)42-25-30-51(31-26-42)62(53-34-35-55-50(39-53)24-22-44-14-7-8-19-54(44)55)52-32-27-43(28-33-52)49-23-21-45-29-36-58-60(56(45)40-49)59(46-15-5-2-6-16-46)57-20-9-10-37-61(57)58/h1-40H.
What are the key properties of N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine?
N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 788.99 g/mol, XLogP of 16.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 146508802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).