N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine

C58H40N2O — CID 170136908

IUPACN-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine
SMILESC1=CCC(c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2-c2ccccc2)C=C1
InChIInChI=1S/C58H40N2O/c1-4-16-39(17-5-1)46-22-10-13-25-52(46)60(45-31-34-55-51(38-45)48-23-11-14-26-53(48)59(55)44-20-8-3-9-21-44)54-33-29-42(37-50(54)40-18-6-2-7-19-40)41-28-32-47-43(36-41)30-35-57-58(47)49-24-12-15-27-56(49)61-57/h1-16,18-39H,17H2
InChIKeyDJELPVFVANBBAV-UHFFFAOYSA-N
MW780.97 g/mol
LogP16.24
Rot. Bonds7

About N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine

N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 170136908) has the molecular formula C58H40N2O and a molecular weight of 780.97 g/mol. Its IUPAC name is N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine
PubChem CID170136908
Molecular FormulaC58H40N2O
Molecular Weight780.97 g/mol
Exact Mass780.31
IUPAC NameN-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine
SMILESC1=CCC(c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2-c2ccccc2)C=C1
InChIInChI=1S/C58H40N2O/c1-4-16-39(17-5-1)46-22-10-13-25-52(46)60(45-31-34-55-51(38-45)48-23-11-14-26-53(48)59(55)44-20-8-3-9-21-44)54-33-29-42(37-50(54)40-18-6-2-7-19-40)41-28-32-47-43(36-41)30-35-57-58(47)49-24-12-15-27-56(49)61-57/h1-16,18-39H,17H2
InChIKeyDJELPVFVANBBAV-UHFFFAOYSA-N
XLogP16.24
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.97
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 170033942
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170033937
N-(4-naphthalen-2-yl-2-phenylphenyl)-N-naphtho[3,2-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine
CID 163915696
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 129311250
bis(N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine);N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 158442979
N-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796020
3-carbazol-9-yl-9-[2-cyclohexa-2,4-dien-1-yl-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 167403558
N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 170126932
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine;N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 157236630
N-[4-(7-phenylbenzo[c]carbazol-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 166847555

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine (CID 170136908) is N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine is C1=CCC(c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2-c2ccccc2)C=C1.
What is the InChIKey of N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is DJELPVFVANBBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O/c1-4-16-39(17-5-1)46-22-10-13-25-52(46)60(45-31-34-55-51(38-45)48-23-11-14-26-53(48)59(55)44-20-8-3-9-21-44)54-33-29-42(37-50(54)40-18-6-2-7-19-40)41-28-32-47-43(36-41)30-35-57-58(47)49-24-12-15-27-56(49)61-57/h1-16,18-39H,17H2.
What are the key properties of N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine?
N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine has a molecular weight of 780.97 g/mol, XLogP of 16.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 170136908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).