N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine

C61H40N2 — CID 167036327

IUPACN-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccc4ccccc4c2)(c2cccc4ccccc24)c2cc4ccccc4cc2-3)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C61H40N2/c1-3-22-47(23-4-1)62(50-33-35-54-53-27-13-14-29-59(53)63(60(54)40-50)48-24-5-2-6-25-48)49-32-34-52-55-37-44-19-9-10-20-45(44)38-57(55)61(58(52)39-49,46-31-30-41-16-7-8-18-43(41)36-46)56-28-15-21-42-17-11-12-26-51(42)56/h1-40H
InChIKeySSMGEXDNTCKUFZ-UHFFFAOYSA-N
MW801.01 g/mol
LogP16.08
Rot. Bonds6

About N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine

N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine (PubChem CID 167036327) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine
PubChem CID167036327
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC NameN-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccc4ccccc4c2)(c2cccc4ccccc24)c2cc4ccccc4cc2-3)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C61H40N2/c1-3-22-47(23-4-1)62(50-33-35-54-53-27-13-14-29-59(53)63(60(54)40-50)48-24-5-2-6-25-48)49-32-34-52-55-37-44-19-9-10-20-45(44)38-57(55)61(58(52)39-49,46-31-30-41-16-7-8-18-43(41)36-46)56-28-15-21-42-17-11-12-26-51(42)56/h1-40H
InChIKeySSMGEXDNTCKUFZ-UHFFFAOYSA-N
XLogP16.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine
CID 167036284
N-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 166036387
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
CID 167036355
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 159187067
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
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158340092
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
CID 159860260
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062

Frequently Asked Questions

What is the IUPAC name of N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine (CID 167036327) is N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine is c1ccc(N(c2ccc3c(c2)C(c2ccc4ccccc4c2)(c2cccc4ccccc24)c2cc4ccccc4cc2-3)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine?
The InChIKey is SSMGEXDNTCKUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-3-22-47(23-4-1)62(50-33-35-54-53-27-13-14-29-59(53)63(60(54)40-50)48-24-5-2-6-25-48)49-32-34-52-55-37-44-19-9-10-20-45(44)38-57(55)61(58(52)39-49,46-31-30-41-16-7-8-18-43(41)36-46)56-28-15-21-42-17-11-12-26-51(42)56/h1-40H.
What are the key properties of N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine?
N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine has a molecular weight of 801.01 g/mol, XLogP of 16.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 167036327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).