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

C53H37N3 — CID 142607078

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c3nc3ccccc34)cccc21
InChIInChI=1S/C53H37N3/c1-52(2)41-19-8-7-18-40(41)50-44(52)22-14-26-49(50)55(36-29-27-35(28-30-36)34-15-4-3-5-16-34)37-31-32-39-38-17-6-9-20-42(38)53(45(39)33-37)43-21-10-12-24-47(43)56-48-25-13-11-23-46(48)54-51(53)56/h3-33H,1-2H3
InChIKeyQLUQKULADHHLAP-UHFFFAOYSA-N
MW715.90 g/mol
LogP13.15
Rot. Bonds4

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

N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine (PubChem CID 142607078) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine
PubChem CID142607078
Molecular FormulaC53H37N3
Molecular Weight715.90 g/mol
Exact Mass715.30
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c3nc3ccccc34)cccc21
InChIInChI=1S/C53H37N3/c1-52(2)41-19-8-7-18-40(41)50-44(52)22-14-26-49(50)55(36-29-27-35(28-30-36)34-15-4-3-5-16-34)37-31-32-39-38-17-6-9-20-42(38)53(45(39)33-37)43-21-10-12-24-47(43)56-48-25-13-11-23-46(48)54-51(53)56/h3-33H,1-2H3
InChIKeyQLUQKULADHHLAP-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-[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]-6'-amine
CID 162484135
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 142607235
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-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine
CID 162484216
N-(9,9-dimethylfluoren-2-yl)-N-(4-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135168602
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine (CID 142607078) is N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c3nc3ccccc34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine?
The InChIKey is QLUQKULADHHLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-52(2)41-19-8-7-18-40(41)50-44(52)22-14-26-49(50)55(36-29-27-35(28-30-36)34-15-4-3-5-16-34)37-31-32-39-38-17-6-9-20-42(38)53(45(39)33-37)43-21-10-12-24-47(43)56-48-25-13-11-23-46(48)54-51(53)56/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-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-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine is sourced from PubChem (CID 142607078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).