3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole

C52H40N2O — CID 144605165

IUPAC3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole
SMILESC=CCc1ccc2c(c1)c1cc(CC=C)ccc1n2-c1ccc2c(c1)Cc1cc(-c3ccc4c(c3)c3cc(CC=C)ccc3n4-c3ccccc3)ccc1O2
InChIInChI=1S/C52H40N2O/c1-4-10-34-16-22-48-43(27-34)44-28-35(11-5-2)17-23-49(44)54(48)42-20-26-52-40(32-42)31-39-30-37(19-25-51(39)55-52)38-18-24-50-46(33-38)45-29-36(12-6-3)15-21-47(45)53(50)41-13-8-7-9-14-41/h4-9,13-30,32-33H,1-3,10-12,31H2
InChIKeyQVVTXJNZMYCSNX-UHFFFAOYSA-N
MW708.90 g/mol
LogP13.43
Rot. Bonds9

About 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole

3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole (PubChem CID 144605165) has the molecular formula C52H40N2O and a molecular weight of 708.90 g/mol. Its IUPAC name is 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole.

Molecular Properties

Compound Name3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole
PubChem CID144605165
Molecular FormulaC52H40N2O
Molecular Weight708.90 g/mol
Exact Mass708.31
IUPAC Name3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole
SMILESC=CCc1ccc2c(c1)c1cc(CC=C)ccc1n2-c1ccc2c(c1)Cc1cc(-c3ccc4c(c3)c3cc(CC=C)ccc3n4-c3ccccc3)ccc1O2
InChIInChI=1S/C52H40N2O/c1-4-10-34-16-22-48-43(27-34)44-28-35(11-5-2)17-23-49(44)54(48)42-20-26-52-40(32-42)31-39-30-37(19-25-51(39)55-52)38-18-24-50-46(33-38)45-29-36(12-6-3)15-21-47(45)53(50)41-13-8-7-9-14-41/h4-9,13-30,32-33H,1-3,10-12,31H2
InChIKeyQVVTXJNZMYCSNX-UHFFFAOYSA-N
XLogP13.43
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 513.43
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

9-phenyl-3-prop-2-enylcarbazole
CID 123281501
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
(E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane
CID 144925182
N-[4-[9-(4-ethenylphenyl)-6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142340184
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole?
The IUPAC name of 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole (CID 144605165) is 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole.
What is the SMILES notation for 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole?
The canonical SMILES for 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole is C=CCc1ccc2c(c1)c1cc(CC=C)ccc1n2-c1ccc2c(c1)Cc1cc(-c3ccc4c(c3)c3cc(CC=C)ccc3n4-c3ccccc3)ccc1O2.
What is the InChIKey of 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole?
The InChIKey is QVVTXJNZMYCSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2O/c1-4-10-34-16-22-48-43(27-34)44-28-35(11-5-2)17-23-49(44)54(48)42-20-26-52-40(32-42)31-39-30-37(19-25-51(39)55-52)38-18-24-50-46(33-38)45-29-36(12-6-3)15-21-47(45)53(50)41-13-8-7-9-14-41/h4-9,13-30,32-33H,1-3,10-12,31H2.
What are the key properties of 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole?
3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole has a molecular weight of 708.90 g/mol, XLogP of 13.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole is sourced from PubChem (CID 144605165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).