benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene

C50H35NO2 — CID 144788060

IUPACbenzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene
SMILESC=C.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1.c1ccccc1
InChIInChI=1S/C42H25NO2.C6H6.C2H4/c1-4-13-37-31(10-1)32-11-2-5-14-38(32)43(37)30-18-21-42-36(25-30)35-24-29(17-20-41(35)45-42)27-9-7-8-26(22-27)28-16-19-40-34(23-28)33-12-3-6-15-39(33)44-40;1-2-4-6-5-3-1;1-2/h1-25H;1-6H;1-2H2
InChIKeyINECQWMVBHVRTL-UHFFFAOYSA-N
MW681.84 g/mol
LogP14.41
Rot. Bonds3

About benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene

benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene (PubChem CID 144788060) has the molecular formula C50H35NO2 and a molecular weight of 681.84 g/mol. Its IUPAC name is benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene.

Molecular Properties

Compound Namebenzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene
PubChem CID144788060
Molecular FormulaC50H35NO2
Molecular Weight681.84 g/mol
Exact Mass681.27
IUPAC Namebenzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene
SMILESC=C.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1.c1ccccc1
InChIInChI=1S/C42H25NO2.C6H6.C2H4/c1-4-13-37-31(10-1)32-11-2-5-14-38(32)43(37)30-18-21-42-36(25-30)35-24-29(17-20-41(35)45-42)27-9-7-8-26(22-27)28-16-19-40-34(23-28)33-12-3-6-15-39(33)44-40;1-2-4-6-5-3-1;1-2/h1-25H;1-6H;1-2H2
InChIKeyINECQWMVBHVRTL-UHFFFAOYSA-N
XLogP14.41
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 514.41
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-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
11-dibenzofuran-2-yl-5-[4-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 171414707
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
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017

Frequently Asked Questions

What is the IUPAC name of benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene?
The IUPAC name of benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene (CID 144788060) is benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene.
What is the SMILES notation for benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene?
The canonical SMILES for benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene is C=C.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1.c1ccccc1.
What is the InChIKey of benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene?
The InChIKey is INECQWMVBHVRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2.C6H6.C2H4/c1-4-13-37-31(10-1)32-11-2-5-14-38(32)43(37)30-18-21-42-36(25-30)35-24-29(17-20-41(35)45-42)27-9-7-8-26(22-27)28-16-19-40-34(23-28)33-12-3-6-15-39(33)44-40;1-2-4-6-5-3-1;1-2/h1-25H;1-6H;1-2H2.
What are the key properties of benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene?
benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene has a molecular weight of 681.84 g/mol, XLogP of 14.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene is sourced from PubChem (CID 144788060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).