ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole

C55H39N3 — CID 144919767

IUPACethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
SMILESC=C.Cn1c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccccc3)cc2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C53H35N3.C2H4/c1-54-48-25-21-36(37-22-27-51-46(31-37)47-28-34-12-8-9-13-35(34)33-53(47)56(51)41-16-6-3-7-17-41)29-44(48)43-24-20-39(32-52(43)54)38-23-26-50-45(30-38)42-18-10-11-19-49(42)55(50)40-14-4-2-5-15-40;1-2/h2-33H,1H3;1-2H2
InChIKeyWTWNIQQSBQVLHO-UHFFFAOYSA-N
MW741.94 g/mol
LogP14.82
Rot. Bonds4

About ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole

ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole (PubChem CID 144919767) has the molecular formula C55H39N3 and a molecular weight of 741.94 g/mol. Its IUPAC name is ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole.

Molecular Properties

Compound Nameethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
PubChem CID144919767
Molecular FormulaC55H39N3
Molecular Weight741.94 g/mol
Exact Mass741.31
IUPAC Nameethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
SMILESC=C.Cn1c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccccc3)cc2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C53H35N3.C2H4/c1-54-48-25-21-36(37-22-27-51-46(31-37)47-28-34-12-8-9-13-35(34)33-53(47)56(51)41-16-6-3-7-17-41)29-44(48)43-24-20-39(32-52(43)54)38-23-26-50-45(30-38)42-18-10-11-19-49(42)55(50)40-14-4-2-5-15-40;1-2/h2-33H,1H3;1-2H2
InChIKeyWTWNIQQSBQVLHO-UHFFFAOYSA-N
XLogP14.82
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.94
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 157468532
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
CID 144919650
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405

Frequently Asked Questions

What is the IUPAC name of ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole?
The IUPAC name of ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole (CID 144919767) is ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole.
What is the SMILES notation for ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole?
The canonical SMILES for ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole is C=C.Cn1c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccccc3)cc2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole?
The InChIKey is WTWNIQQSBQVLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3.C2H4/c1-54-48-25-21-36(37-22-27-51-46(31-37)47-28-34-12-8-9-13-35(34)33-53(47)56(51)41-16-6-3-7-17-41)29-44(48)43-24-20-39(32-52(43)54)38-23-26-50-45(30-38)42-18-10-11-19-49(42)55(50)40-14-4-2-5-15-40;1-2/h2-33H,1H3;1-2H2.
What are the key properties of ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole?
ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole has a molecular weight of 741.94 g/mol, XLogP of 14.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole is sourced from PubChem (CID 144919767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).