N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine

C59H40N2 — CID 167036284

IUPACN,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine
SMILESc1ccc(-c2cccc(C3(c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4-c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C59H40N2/c1-5-18-41(19-6-1)42-22-17-25-46(36-42)59(45-23-7-2-8-24-45)55-38-44-21-14-13-20-43(44)37-54(55)51-34-32-49(39-56(51)59)60(47-26-9-3-10-27-47)50-33-35-53-52-30-15-16-31-57(52)61(58(53)40-50)48-28-11-4-12-29-48/h1-40H
InChIKeyCKJVNNCYRBOBLP-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.44
Rot. Bonds7

About N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine

N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine (PubChem CID 167036284) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine
PubChem CID167036284
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC NameN,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine
SMILESc1ccc(-c2cccc(C3(c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4-c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C59H40N2/c1-5-18-41(19-6-1)42-22-17-25-46(36-42)59(45-23-7-2-8-24-45)55-38-44-21-14-13-20-43(44)37-54(55)51-34-32-49(39-56(51)59)60(47-26-9-3-10-27-47)50-33-35-53-52-30-15-16-31-57(52)61(58(53)40-50)48-28-11-4-12-29-48/h1-40H
InChIKeyCKJVNNCYRBOBLP-UHFFFAOYSA-N
XLogP15.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 166036387
N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
CID 167036355
N-(11,11-diphenylbenzo[b]fluoren-2-yl)-N-phenyl-9-(2-phenylphenyl)carbazol-2-amine
CID 167036295
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160980279
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine
CID 167036327
N,9,9-triphenyl-N-[4-(5-phenylbenzo[b]carbazol-2-yl)phenyl]fluoren-2-amine
CID 139573020
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 161161453

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine?
The IUPAC name of N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine (CID 167036284) is N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine.
What is the SMILES notation for N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine?
The canonical SMILES for N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine is c1ccc(-c2cccc(C3(c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4-c4cc5ccccc5cc43)c2)cc1.
What is the InChIKey of N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine?
The InChIKey is CKJVNNCYRBOBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-5-18-41(19-6-1)42-22-17-25-46(36-42)59(45-23-7-2-8-24-45)55-38-44-21-14-13-20-43(44)37-54(55)51-34-32-49(39-56(51)59)60(47-26-9-3-10-27-47)50-33-35-53-52-30-15-16-31-57(52)61(58(53)40-50)48-28-11-4-12-29-48/h1-40H.
What are the key properties of N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine?
N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine has a molecular weight of 776.98 g/mol, XLogP of 15.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine is sourced from PubChem (CID 167036284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).