N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine

C65H50N2 — CID 163603938

IUPACN-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3c4c(cc5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2C1(C)C
InChIInChI=1S/C65H50N2/c1-63(2)54-35-19-16-31-49(54)50-40-39-47(42-56(50)64(63,3)4)67(59-38-22-34-52-51-32-18-21-37-58(51)66(61(52)59)46-28-12-7-13-29-46)62-48-30-15-14-23-43(48)41-57-60(62)53-33-17-20-36-55(53)65(57,44-24-8-5-9-25-44)45-26-10-6-11-27-45/h5-42H,1-4H3
InChIKeyNYLSLAMFJULMFM-UHFFFAOYSA-N
MW859.13 g/mol
LogP17.01
Rot. Bonds6

About N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine

N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine (PubChem CID 163603938) has the molecular formula C65H50N2 and a molecular weight of 859.13 g/mol. Its IUPAC name is N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine.

Molecular Properties

Compound NameN-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
PubChem CID163603938
Molecular FormulaC65H50N2
Molecular Weight859.13 g/mol
Exact Mass858.40
IUPAC NameN-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3c4c(cc5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2C1(C)C
InChIInChI=1S/C65H50N2/c1-63(2)54-35-19-16-31-49(54)50-40-39-47(42-56(50)64(63,3)4)67(59-38-22-34-52-51-32-18-21-37-58(51)66(61(52)59)46-28-12-7-13-29-46)62-48-30-15-14-23-43(48)41-57-60(62)53-33-17-20-36-55(53)65(57,44-24-8-5-9-25-44)45-26-10-6-11-27-45/h5-42H,1-4H3
InChIKeyNYLSLAMFJULMFM-UHFFFAOYSA-N
XLogP17.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.13
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
CID 163980978
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 177080037
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 155004211
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170138253
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine
CID 134452955
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193232
7-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193235
N-(9,9-diphenylfluoren-4-yl)-N-phenanthren-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167990
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419
N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119206
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135168068

Frequently Asked Questions

What is the IUPAC name of N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine?
The IUPAC name of N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine (CID 163603938) is N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine.
What is the SMILES notation for N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine?
The canonical SMILES for N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3c4c(cc5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2C1(C)C.
What is the InChIKey of N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine?
The InChIKey is NYLSLAMFJULMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2/c1-63(2)54-35-19-16-31-49(54)50-40-39-47(42-56(50)64(63,3)4)67(59-38-22-34-52-51-32-18-21-37-58(51)66(61(52)59)46-28-12-7-13-29-46)62-48-30-15-14-23-43(48)41-57-60(62)53-33-17-20-36-55(53)65(57,44-24-8-5-9-25-44)45-26-10-6-11-27-45/h5-42H,1-4H3.
What are the key properties of N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine?
N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine has a molecular weight of 859.13 g/mol, XLogP of 17.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine is sourced from PubChem (CID 163603938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).