3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole

C42H30N2 — CID 129022065

IUPAC3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole
SMILESC=C1/C=C(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)\C=C/N(c2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C42H30N2/c1-30-28-34(33-22-25-42-39(29-33)38-17-9-11-19-41(38)44(42)36-14-6-3-7-15-36)26-27-43(40-18-10-8-16-37(30)40)35-23-20-32(21-24-35)31-12-4-2-5-13-31/h2-29H,1H2/b27-26-,34-28+
InChIKeyLTZKVIQNCLKDHD-JMVIGZGTSA-N
MW562.72 g/mol
LogP11.21
Rot. Bonds4

About 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole

3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole (PubChem CID 129022065) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole
PubChem CID129022065
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole
SMILESC=C1/C=C(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)\C=C/N(c2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C42H30N2/c1-30-28-34(33-22-25-42-39(29-33)38-17-9-11-19-41(38)44(42)36-14-6-3-7-15-36)26-27-43(40-18-10-8-16-37(30)40)35-23-20-32(21-24-35)31-12-4-2-5-13-31/h2-29H,1H2/b27-26-,34-28+
InChIKeyLTZKVIQNCLKDHD-JMVIGZGTSA-N
XLogP11.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2Z,4Z)-6-methylidene-1-phenyl-1-benzazocin-8-yl]-9-phenylcarbazole
CID 156643406
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 158659415
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole (CID 129022065) is 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole is C=C1/C=C(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)\C=C/N(c2ccc(-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole?
The InChIKey is LTZKVIQNCLKDHD-JMVIGZGTSA-N. The full InChI is InChI=1S/C42H30N2/c1-30-28-34(33-22-25-42-39(29-33)38-17-9-11-19-41(38)44(42)36-14-6-3-7-15-36)26-27-43(40-18-10-8-16-37(30)40)35-23-20-32(21-24-35)31-12-4-2-5-13-31/h2-29H,1H2/b27-26-,34-28+.
What are the key properties of 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole?
3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole has a molecular weight of 562.72 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 129022065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).