N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine

C44H29N3 — CID 162484216

IUPACN-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3nc5ccccc5n3-4)cc2)cc1
InChIInChI=1S/C44H29N3/c1-3-14-30(15-4-1)31-26-28-33(29-27-31)46(32-16-5-2-6-17-32)40-24-13-25-41-42(40)44(43-45-38-22-11-12-23-39(38)47(41)43)36-20-9-7-18-34(36)35-19-8-10-21-37(35)44/h1-29H
InChIKeyYRVSIRHCAAPUQM-UHFFFAOYSA-N
MW599.74 g/mol
LogP10.84
Rot. Bonds4

About N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine

N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine (PubChem CID 162484216) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine
PubChem CID162484216
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC NameN-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3nc5ccccc5n3-4)cc2)cc1
InChIInChI=1S/C44H29N3/c1-3-14-30(15-4-1)31-26-28-33(29-27-31)46(32-16-5-2-6-17-32)40-24-13-25-41-42(40)44(43-45-38-22-11-12-23-39(38)47(41)43)36-20-9-7-18-34(36)35-19-8-10-21-37(35)44/h1-29H
InChIKeyYRVSIRHCAAPUQM-UHFFFAOYSA-N
XLogP10.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-8'-amine
CID 163614640
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine
CID 142607078
N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine
CID 162484127
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 162484186
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 142607235
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 162484135
N-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-amine
CID 135293653
CID 134451141
CID 134451141
N,15-diphenyl-N-(4-phenylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]-4'-amine
CID 163517919
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766508
2-[2-[9-(9,9-diphenylfluoren-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118337373

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine (CID 162484216) is N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3nc5ccccc5n3-4)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine?
The InChIKey is YRVSIRHCAAPUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-14-30(15-4-1)31-26-28-33(29-27-31)46(32-16-5-2-6-17-32)40-24-13-25-41-42(40)44(43-45-38-22-11-12-23-39(38)47(41)43)36-20-9-7-18-34(36)35-19-8-10-21-37(35)44/h1-29H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine?
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine has a molecular weight of 599.74 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine is sourced from PubChem (CID 162484216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).