N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine

C69H43N3 — CID 162484127

IUPACN-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c3nc3ccccc34)cc2)cc1
InChIInChI=1S/C69H43N3/c1-2-17-44(18-3-1)45-33-36-48(37-34-45)71(50-38-40-56-54-24-7-11-28-60(54)69(63(56)43-50)61-29-12-14-31-65(61)72-66-32-15-13-30-64(66)70-67(69)72)49-20-16-19-46(41-49)47-35-39-55-53-23-6-10-27-59(53)68(62(55)42-47)57-25-8-4-21-51(57)52-22-5-9-26-58(52)68/h1-43H
InChIKeyUSEYQJLHOLJHCE-UHFFFAOYSA-N
MW914.12 g/mol
LogP16.85
Rot. Bonds5

About N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine

N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine (PubChem CID 162484127) has the molecular formula C69H43N3 and a molecular weight of 914.12 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine
PubChem CID162484127
Molecular FormulaC69H43N3
Molecular Weight914.12 g/mol
Exact Mass913.35
IUPAC NameN-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c3nc3ccccc34)cc2)cc1
InChIInChI=1S/C69H43N3/c1-2-17-44(18-3-1)45-33-36-48(37-34-45)71(50-38-40-56-54-24-7-11-28-60(54)69(63(56)43-50)61-29-12-14-31-65(61)72-66-32-15-13-30-64(66)70-67(69)72)49-20-16-19-46(41-49)47-35-39-55-53-23-6-10-27-59(53)68(62(55)42-47)57-25-8-4-21-51(57)52-22-5-9-26-58(52)68/h1-43H
InChIKeyUSEYQJLHOLJHCE-UHFFFAOYSA-N
XLogP16.85
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.12
LogP ≤ 516.85
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-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine
CID 162484216
N-[4-(4-phenylphenyl)phenyl]-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]-2-amine
CID 135168601
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 142607235
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 121340784
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606984
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine?
The IUPAC name of 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) is N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c3nc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine?
The InChIKey is USEYQJLHOLJHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N3/c1-2-17-44(18-3-1)45-33-36-48(37-34-45)71(50-38-40-56-54-24-7-11-28-60(54)69(63(56)43-50)61-29-12-14-31-65(61)72-66-32-15-13-30-64(66)70-67(69)72)49-20-16-19-46(41-49)47-35-39-55-53-23-6-10-27-59(53)68(62(55)42-47)57-25-8-4-21-51(57)52-22-5-9-26-58(52)68/h1-43H.
What are the key properties of N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine?
N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine has a molecular weight of 914.12 g/mol, XLogP of 16.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-2-amine is sourced from PubChem (CID 162484127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).