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

C62H40N2 — CID 166875391

IUPACN-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)n(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C62H40N2/c1-3-14-44(15-4-1)61-57-21-9-10-24-59(57)64(48-18-5-2-6-19-48)62(61)45-29-34-50(35-30-45)63(51-36-38-54-55-22-11-16-43-17-12-23-56(60(43)55)58(54)40-51)49-32-27-41(28-33-49)46-31-37-53-47(39-46)26-25-42-13-7-8-20-52(42)53/h1-40H
InChIKeyYMTGAWODQXODTQ-UHFFFAOYSA-N
MW813.02 g/mol
LogP17.21
Rot. Bonds7

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

N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine (PubChem CID 166875391) 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-2-ylphenyl)fluoranthen-8-amine.

Molecular Properties

Compound NameN-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine
PubChem CID166875391
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC NameN-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)n(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C62H40N2/c1-3-14-44(15-4-1)61-57-21-9-10-24-59(57)64(48-18-5-2-6-19-48)62(61)45-29-34-50(35-30-45)63(51-36-38-54-55-22-11-16-43-17-12-23-56(60(43)55)58(54)40-51)49-32-27-41(28-33-49)46-31-37-53-47(39-46)26-25-42-13-7-8-20-52(42)53/h1-40H
InChIKeyYMTGAWODQXODTQ-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-3-ylphenyl)fluoranthen-8-amine
CID 169277570
N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-2-amine
CID 166875377
N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine
CID 166875448
N-naphthalen-2-yl-N-[4-[1-phenyl-2,3-bis(4-phenylphenyl)indol-6-yl]phenyl]naphthalen-2-amine
CID 118459327
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 158524889
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660133
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 166659546
N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 134396685
N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine?
The IUPAC name of N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine (CID 166875391) is N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine.
What is the SMILES notation for N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine?
The canonical SMILES for N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine is c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)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-2-ylphenyl)fluoranthen-8-amine?
The InChIKey is YMTGAWODQXODTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-3-14-44(15-4-1)61-57-21-9-10-24-59(57)64(48-18-5-2-6-19-48)62(61)45-29-34-50(35-30-45)63(51-36-38-54-55-22-11-16-43-17-12-23-56(60(43)55)58(54)40-51)49-32-27-41(28-33-49)46-31-37-53-47(39-46)26-25-42-13-7-8-20-52(42)53/h1-40H.
What are the key properties of N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)fluoranthen-8-amine?
N-[4-(1,3-diphenylindol-2-yl)phenyl]-N-(4-phenanthren-2-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-2-ylphenyl)fluoranthen-8-amine is sourced from PubChem (CID 166875391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).