N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine

C58H41N5 — CID 155766482

IUPACN-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C58H41N5/c1-58(2)49-21-11-9-19-45(49)46-32-29-43(36-50(46)58)60(41-27-25-39(26-28-41)38-15-5-3-6-16-38)44-31-34-55-56(37-44)63-54-24-14-12-22-51(54)59-57(63)62(55)42-30-33-53-48(35-42)47-20-10-13-23-52(47)61(53)40-17-7-4-8-18-40/h3-37H,1-2H3
InChIKeyDSBGGQUINQRFJH-UHFFFAOYSA-N
MW808.00 g/mol
LogP14.97
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine (PubChem CID 155766482) has the molecular formula C58H41N5 and a molecular weight of 808.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
PubChem CID155766482
Molecular FormulaC58H41N5
Molecular Weight808.00 g/mol
Exact Mass807.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C58H41N5/c1-58(2)49-21-11-9-19-45(49)46-32-29-43(36-50(46)58)60(41-27-25-39(26-28-41)38-15-5-3-6-16-38)44-31-34-55-56(37-44)63-54-24-14-12-22-51(54)59-57(63)62(55)42-30-33-53-48(35-42)47-20-10-13-23-52(47)61(53)40-17-7-4-8-18-40/h3-37H,1-2H3
InChIKeyDSBGGQUINQRFJH-UHFFFAOYSA-N
XLogP14.97
TPSA30.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.00
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139479683
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine (CID 155766482) is N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The InChIKey is DSBGGQUINQRFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N5/c1-58(2)49-21-11-9-19-45(49)46-32-29-43(36-50(46)58)60(41-27-25-39(26-28-41)38-15-5-3-6-16-38)44-31-34-55-56(37-44)63-54-24-14-12-22-51(54)59-57(63)62(55)42-30-33-53-48(35-42)47-20-10-13-23-52(47)61(53)40-17-7-4-8-18-40/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine has a molecular weight of 808.00 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 155766482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).