N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

C56H40N4 — CID 71248718

IUPACN-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-n4cnc5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C56H40N4/c1-56(2)48-20-10-8-16-42(48)43-30-29-41(35-49(43)56)59(53-33-32-51(44-17-6-7-18-45(44)53)58-36-57-50-21-11-13-23-55(50)58)40-27-24-37(25-28-40)38-26-31-54-47(34-38)46-19-9-12-22-52(46)60(54)39-14-4-3-5-15-39/h3-36H,1-2H3
InChIKeyUDRFGNPMCXUHLW-UHFFFAOYSA-N
MW768.96 g/mol
LogP14.72
Rot. Bonds6

About N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 71248718) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
PubChem CID71248718
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC NameN-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-n4cnc5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C56H40N4/c1-56(2)48-20-10-8-16-42(48)43-30-29-41(35-49(43)56)59(53-33-32-51(44-17-6-7-18-45(44)53)58-36-57-50-21-11-13-23-55(50)58)40-27-24-37(25-28-40)38-26-31-54-47(34-38)46-19-9-12-22-52(46)60(54)39-14-4-3-5-15-39/h3-36H,1-2H3
InChIKeyUDRFGNPMCXUHLW-UHFFFAOYSA-N
XLogP14.72
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]triphenylen-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 159307358
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824
carbanide;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;molecular hydrogen;vanadium
CID 158521255
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
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
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (CID 71248718) is N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-n4cnc5ccccc54)c4ccccc34)cc21.
What is the InChIKey of N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?
The InChIKey is UDRFGNPMCXUHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-56(2)48-20-10-8-16-42(48)43-30-29-41(35-49(43)56)59(53-33-32-51(44-17-6-7-18-45(44)53)58-36-57-50-21-11-13-23-55(50)58)40-27-24-37(25-28-40)38-26-31-54-47(34-38)46-19-9-12-22-52(46)60(54)39-14-4-3-5-15-39/h3-36H,1-2H3.
What are the key properties of N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?
N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 768.96 g/mol, XLogP of 14.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)naphthalen-1-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 71248718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).