N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine

C46H32N2O — CID 170034449

IUPACN-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine
SMILESC1=CCCC(c2ccccc2N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)=C1
InChIInChI=1S/C46H32N2O/c1-3-14-31(15-4-1)35-19-9-11-23-40(35)47(34-27-29-43-39(30-34)45-36-20-8-7-16-32(36)26-28-44(45)49-43)42-25-13-22-38-37-21-10-12-24-41(37)48(46(38)42)33-17-5-2-6-18-33/h1-3,5-14,16-30H,4,15H2
InChIKeyREEQYHXGENOWJM-UHFFFAOYSA-N
MW628.78 g/mol
LogP13.04
Rot. Bonds5

About N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine

N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine (PubChem CID 170034449) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine
PubChem CID170034449
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC NameN-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine
SMILESC1=CCCC(c2ccccc2N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)=C1
InChIInChI=1S/C46H32N2O/c1-3-14-31(15-4-1)35-19-9-11-23-40(35)47(34-27-29-43-39(30-34)45-36-20-8-7-16-32(36)26-28-44(45)49-43)42-25-13-22-38-37-21-10-12-24-41(37)48(46(38)42)33-17-5-2-6-18-33/h1-3,5-14,16-30H,4,15H2
InChIKeyREEQYHXGENOWJM-UHFFFAOYSA-N
XLogP13.04
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-(3-dibenzofuran-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170298498
N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170138552
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847905
N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795994
N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine
CID 155034554
N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167181795
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167182149
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796105

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine (CID 170034449) is N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine is C1=CCCC(c2ccccc2N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)=C1.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine?
The InChIKey is REEQYHXGENOWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-3-14-31(15-4-1)35-19-9-11-23-40(35)47(34-27-29-43-39(30-34)45-36-20-8-7-16-32(36)26-28-44(45)49-43)42-25-13-22-38-37-21-10-12-24-41(37)48(46(38)42)33-17-5-2-6-18-33/h1-3,5-14,16-30H,4,15H2.
What are the key properties of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine?
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine has a molecular weight of 628.78 g/mol, XLogP of 13.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine is sourced from PubChem (CID 170034449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).