N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine

C57H40N2 — CID 164774440

IUPACN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H40N2/c1-57(2)51-31-29-42(35-50(51)49-33-39-17-6-7-18-40(39)34-52(49)57)58(43-28-30-47-46-24-12-13-26-53(46)59(55(47)36-43)41-20-4-3-5-21-41)54-32-27-38-16-9-11-23-45(38)56(54)48-25-14-19-37-15-8-10-22-44(37)48/h3-36H,1-2H3
InChIKeySNBMZNVUDRVVFR-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.69
Rot. Bonds5

About N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine

N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine (PubChem CID 164774440) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
PubChem CID164774440
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC NameN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H40N2/c1-57(2)51-31-29-42(35-50(51)49-33-39-17-6-7-18-40(39)34-52(49)57)58(43-28-30-47-46-24-12-13-26-53(46)59(55(47)36-43)41-20-4-3-5-21-41)54-32-27-38-16-9-11-23-45(38)56(54)48-25-14-19-37-15-8-10-22-44(37)48/h3-36H,1-2H3
InChIKeySNBMZNVUDRVVFR-UHFFFAOYSA-N
XLogP15.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774361
N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 177097181
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-1-yl)benzo[b]carbazol-3-amine
CID 145335074
N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenylbenzo[h]fluoren-1-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[h]fluoren-1-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[h]fluoren-1-amine
CID 165109640
N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
CID 164774397
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine;N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine;N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-4-amine
CID 165108975
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine
CID 170665973
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine
CID 163846166
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
CID 164986866
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine;N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine;11,11-dimethyl-N-(4-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
CID 164965876

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine (CID 164774440) is N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine is CC1(C)c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine?
The InChIKey is SNBMZNVUDRVVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)51-31-29-42(35-50(51)49-33-39-17-6-7-18-40(39)34-52(49)57)58(43-28-30-47-46-24-12-13-26-53(46)59(55(47)36-43)41-20-4-3-5-21-41)54-32-27-38-16-9-11-23-45(38)56(54)48-25-14-19-37-15-8-10-22-44(37)48/h3-36H,1-2H3.
What are the key properties of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine?
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine has a molecular weight of 752.96 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 164774440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).