N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C52H38N4 — CID 139479683

IUPACN-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4)cc3)cc21
InChIInChI=1S/C52H38N4/c1-52(2)45-15-7-6-14-43(45)44-33-32-42(34-46(44)52)54(39-26-20-36(21-27-39)35-12-4-3-5-13-35)40-28-22-37(23-29-40)38-24-30-41(31-25-38)55-49-18-10-11-19-50(49)56-48-17-9-8-16-47(48)53-51(55)56/h3-34H,1-2H3
InChIKeyONNPNVVFUZYYQE-UHFFFAOYSA-N
MW718.90 g/mol
LogP13.54
Rot. Bonds6

About N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 139479683) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID139479683
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC NameN-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4)cc3)cc21
InChIInChI=1S/C52H38N4/c1-52(2)45-15-7-6-14-43(45)44-33-32-42(34-46(44)52)54(39-26-20-36(21-27-39)35-12-4-3-5-13-35)40-28-22-37(23-29-40)38-24-30-41(31-25-38)55-49-18-10-11-19-50(49)56-48-17-9-8-16-47(48)53-51(55)56/h3-34H,1-2H3
InChIKeyONNPNVVFUZYYQE-UHFFFAOYSA-N
XLogP13.54
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766482
9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155766506
N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine;9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 161301508
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766515
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766526
3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-5-phenylbenzimidazolo[1,2-c]quinazolin-6-one
CID 155120051
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,13-diphenyl-N-(4-phenylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine
CID 164745189
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766508

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 139479683) is N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4)cc3)cc21.
What is the InChIKey of N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is ONNPNVVFUZYYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-52(2)45-15-7-6-14-43(45)44-33-32-42(34-46(44)52)54(39-26-20-36(21-27-39)35-12-4-3-5-13-35)40-28-22-37(23-29-40)38-24-30-41(31-25-38)55-49-18-10-11-19-50(49)56-48-17-9-8-16-47(48)53-51(55)56/h3-34H,1-2H3.
What are the key properties of N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 718.90 g/mol, XLogP of 13.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 139479683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).