N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine

C62H40N2 — CID 169277570

IUPACN-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)n(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C62H40N2/c1-3-14-45(15-4-1)61-56-21-9-10-24-59(56)64(48-18-5-2-6-19-48)62(61)46-31-35-50(36-32-46)63(51-37-38-53-54-22-11-16-44-17-12-23-55(60(44)54)58(53)40-51)49-33-29-41(30-34-49)47-28-27-43-26-25-42-13-7-8-20-52(42)57(43)39-47/h1-40H
InChIKeyHRLUBIXSLOXZQX-UHFFFAOYSA-N
MW813.02 g/mol
LogP17.21
Rot. Bonds7

About N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine

N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine (PubChem CID 169277570) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine.

Molecular Properties

Compound NameN-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine
PubChem CID169277570
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC NameN-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)n(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C62H40N2/c1-3-14-45(15-4-1)61-56-21-9-10-24-59(56)64(48-18-5-2-6-19-48)62(61)46-31-35-50(36-32-46)63(51-37-38-53-54-22-11-16-44-17-12-23-55(60(44)54)58(53)40-51)49-33-29-41(30-34-49)47-28-27-43-26-25-42-13-7-8-20-52(42)57(43)39-47/h1-40H
InChIKeyHRLUBIXSLOXZQX-UHFFFAOYSA-N
XLogP17.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 517.21
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

N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine
CID 166875391
N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-2-amine
CID 166875377
N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042
N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine
CID 166875448
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
CID 58161015
N-naphthalen-2-yl-N-[4-[1-phenyl-2,3-bis(4-phenylphenyl)indol-6-yl]phenyl]naphthalen-2-amine
CID 118459327
N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 134396685
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylnaphthalen-2-yl)phenyl]phenanthren-3-amine
CID 168810012
N-[4-(11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15,17,19,21,23,25(29),26-tetradecaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155771544
N-naphthalen-1-yl-N-[4-[5-[1-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]-2,3-diphenylindol-5-yl]-2,3-diphenylindol-1-yl]phenyl]naphthalen-2-amine
CID 59184224
4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282036

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine?
The IUPAC name of N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine (CID 169277570) is N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine.
What is the SMILES notation for N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine?
The canonical SMILES for N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine is c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)n(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine?
The InChIKey is HRLUBIXSLOXZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-3-14-45(15-4-1)61-56-21-9-10-24-59(56)64(48-18-5-2-6-19-48)62(61)46-31-35-50(36-32-46)63(51-37-38-53-54-22-11-16-44-17-12-23-55(60(44)54)58(53)40-51)49-33-29-41(30-34-49)47-28-27-43-26-25-42-13-7-8-20-52(42)57(43)39-47/h1-40H.
What are the key properties of N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine?
N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine has a molecular weight of 813.02 g/mol, XLogP of 17.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)fluoranthen-8-amine is sourced from PubChem (CID 169277570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).