4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline

C44H36N2O — CID 156510156

IUPAC4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline
SMILESCC1C=CC=CC1N(c1ccccc1)c1ccc(C2=CC3(C)c4ccccc4OC3c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H36N2O/c1-30-15-9-12-22-38(30)45(32-16-5-3-6-17-32)34-27-25-31(26-28-34)36-29-44(2)37-21-11-14-24-40(37)47-43(44)42-41(36)35-20-10-13-23-39(35)46(42)33-18-7-4-8-19-33/h3-30,38,43H,1-2H3
InChIKeyXZARCHCYEFDWKY-UHFFFAOYSA-N
MW608.79 g/mol
LogP10.74
Rot. Bonds5

About 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline

4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline (PubChem CID 156510156) has the molecular formula C44H36N2O and a molecular weight of 608.79 g/mol. Its IUPAC name is 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline.

Molecular Properties

Compound Name4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline
PubChem CID156510156
Molecular FormulaC44H36N2O
Molecular Weight608.79 g/mol
Exact Mass608.28
IUPAC Name4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline
SMILESCC1C=CC=CC1N(c1ccccc1)c1ccc(C2=CC3(C)c4ccccc4OC3c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H36N2O/c1-30-15-9-12-22-38(30)45(32-16-5-3-6-17-32)34-27-25-31(26-28-34)36-29-44(2)37-21-11-14-24-40(37)47-43(44)42-41(36)35-20-10-13-23-39(35)46(42)33-18-7-4-8-19-33/h3-30,38,43H,1-2H3
InChIKeyXZARCHCYEFDWKY-UHFFFAOYSA-N
XLogP10.74
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.79
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenyl-3-spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-ylaniline
CID 90270092
6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine
CID 166997919
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 166660469
9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 139551277
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138737604
3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine
CID 131995516
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine
CID 166698349
N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine
CID 118189776
N-[4-[4-(N-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 126517768
6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole
CID 170042677
N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine
CID 90270218
4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline
CID 156510164

Frequently Asked Questions

What is the IUPAC name of 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline?
The IUPAC name of 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline (CID 156510156) is 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline.
What is the SMILES notation for 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline?
The canonical SMILES for 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline is CC1C=CC=CC1N(c1ccccc1)c1ccc(C2=CC3(C)c4ccccc4OC3c3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline?
The InChIKey is XZARCHCYEFDWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2O/c1-30-15-9-12-22-38(30)45(32-16-5-3-6-17-32)34-27-25-31(26-28-34)36-29-44(2)37-21-11-14-24-40(37)47-43(44)42-41(36)35-20-10-13-23-39(35)46(42)33-18-7-4-8-19-33/h3-30,38,43H,1-2H3.
What are the key properties of 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline?
4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline has a molecular weight of 608.79 g/mol, XLogP of 10.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6a-methyl-12-phenyl-11aH-[1]benzofuro[2,3-a]carbazol-5-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline is sourced from PubChem (CID 156510156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).