3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole

C49H36N2O — CID 166701019

IUPAC3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESC=C1/C=C\C(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc32)=C/CC2=C(C=CCC2)O1
InChIInChI=1S/C49H36N2O/c1-33-22-26-39(27-23-35-14-5-10-21-49(35)52-33)50-45-19-8-6-17-41(45)43-31-37(24-28-47(43)50)38-25-29-48-44(32-38)42-18-7-9-20-46(42)51(48)40-16-11-15-36(30-40)34-12-3-2-4-13-34/h2-4,6-13,15-22,24-32H,1,5,14,23H2/b26-22-,39-27+
InChIKeyUSGQAFOMBLXIDV-IUMBJTTOSA-N
MW668.84 g/mol
LogP13.16
Rot. Bonds4

About 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole

3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 166701019) has the molecular formula C49H36N2O and a molecular weight of 668.84 g/mol. Its IUPAC name is 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID166701019
Molecular FormulaC49H36N2O
Molecular Weight668.84 g/mol
Exact Mass668.28
IUPAC Name3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESC=C1/C=C\C(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc32)=C/CC2=C(C=CCC2)O1
InChIInChI=1S/C49H36N2O/c1-33-22-26-39(27-23-35-14-5-10-21-49(35)52-33)50-45-19-8-6-17-41(45)43-31-37(24-28-47(43)50)38-25-29-48-44(32-38)42-18-7-9-20-46(42)51(48)40-16-11-15-36(30-40)34-12-3-2-4-13-34/h2-4,6-13,15-22,24-32H,1,5,14,23H2/b26-22-,39-27+
InChIKeyUSGQAFOMBLXIDV-IUMBJTTOSA-N
XLogP13.16
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377

Frequently Asked Questions

What is the IUPAC name of 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 166701019) is 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is C=C1/C=C\C(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc32)=C/CC2=C(C=CCC2)O1.
What is the InChIKey of 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is USGQAFOMBLXIDV-IUMBJTTOSA-N. The full InChI is InChI=1S/C49H36N2O/c1-33-22-26-39(27-23-35-14-5-10-21-49(35)52-33)50-45-19-8-6-17-41(45)43-31-37(24-28-47(43)50)38-25-29-48-44(32-38)42-18-7-9-20-46(42)51(48)40-16-11-15-36(30-40)34-12-3-2-4-13-34/h2-4,6-13,15-22,24-32H,1,5,14,23H2/b26-22-,39-27+.
What are the key properties of 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 668.84 g/mol, XLogP of 13.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 166701019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).