N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine

C53H37N3 — CID 142607235

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4nc5n(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C53H37N3/c1-52(2)42-20-9-6-17-38(42)41-32-31-37(33-46(41)52)55(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-24-47-50(49)56-48-25-13-12-23-45(48)53(51(56)54-47)43-21-10-7-18-39(43)40-19-8-11-22-44(40)53/h3-33H,1-2H3
InChIKeyLBTQUMGMZFJAIC-UHFFFAOYSA-N
MW715.90 g/mol
LogP13.15
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine (PubChem CID 142607235) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
PubChem CID142607235
Molecular FormulaC53H37N3
Molecular Weight715.90 g/mol
Exact Mass715.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4nc5n(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C53H37N3/c1-52(2)42-20-9-6-17-38(42)41-32-31-37(33-46(41)52)55(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-24-47-50(49)56-48-25-13-12-23-45(48)53(51(56)54-47)43-21-10-7-18-39(43)40-19-8-11-22-44(40)53/h3-33H,1-2H3
InChIKeyLBTQUMGMZFJAIC-UHFFFAOYSA-N
XLogP13.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 162484135
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-carbazol-9-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 162484186
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-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine
CID 162484216
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
(13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-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-13,10'-anthracene]-1'-amine
CID 146519617
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine (CID 142607235) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4nc5n(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine?
The InChIKey is LBTQUMGMZFJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-52(2)42-20-9-6-17-38(42)41-32-31-37(33-46(41)52)55(36-29-27-35(28-30-36)34-15-4-3-5-16-34)49-26-14-24-47-50(49)56-48-25-13-12-23-45(48)53(51(56)54-47)43-21-10-7-18-39(43)40-19-8-11-22-44(40)53/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine has a molecular weight of 715.90 g/mol, XLogP of 13.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine is sourced from PubChem (CID 142607235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).