ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole

C67H53NO — CID 144644357

IUPACethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
SMILESC=C/C=C(\C)c1ccccc1.CC.c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc3oc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3c2)cc1
InChIInChI=1S/C54H35NO.C11H12.C2H6/c1-2-16-36(17-3-1)40-20-4-6-22-43(40)45-24-8-9-25-46(45)44-23-7-5-21-41(44)38-32-33-53-50(35-38)49-29-15-28-42(54(49)56-53)37-18-14-19-39(34-37)55-51-30-12-10-26-47(51)48-27-11-13-31-52(48)55;1-3-7-10(2)11-8-5-4-6-9-11;1-2/h1-35H;3-9H,1H2,2H3;1-2H3/b;10-7+;
InChIKeyYOACVFURLGEJFJ-PIHOZGLFSA-N
MW888.17 g/mol
LogP19.32
Rot. Bonds8

About ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole

ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole (PubChem CID 144644357) has the molecular formula C67H53NO and a molecular weight of 888.17 g/mol. Its IUPAC name is ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole.

Molecular Properties

Compound Nameethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
PubChem CID144644357
Molecular FormulaC67H53NO
Molecular Weight888.17 g/mol
Exact Mass887.41
IUPAC Nameethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
SMILESC=C/C=C(\C)c1ccccc1.CC.c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc3oc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3c2)cc1
InChIInChI=1S/C54H35NO.C11H12.C2H6/c1-2-16-36(17-3-1)40-20-4-6-22-43(40)45-24-8-9-25-46(45)44-23-7-5-21-41(44)38-32-33-53-50(35-38)49-29-15-28-42(54(49)56-53)37-18-14-19-39(34-37)55-51-30-12-10-26-47(51)48-27-11-13-31-52(48)55;1-3-7-10(2)11-8-5-4-6-9-11;1-2/h1-35H;3-9H,1H2,2H3;1-2H3/b;10-7+;
InChIKeyYOACVFURLGEJFJ-PIHOZGLFSA-N
XLogP19.32
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.17
LogP ≤ 519.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole
CID 158195291
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-(8-chlorodibenzofuran-4-yl)-9-(2-phenylphenyl)carbazole
CID 142753924
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693

Frequently Asked Questions

What is the IUPAC name of ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole?
The IUPAC name of ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole (CID 144644357) is ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole.
What is the SMILES notation for ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole?
The canonical SMILES for ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole is C=C/C=C(\C)c1ccccc1.CC.c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc3oc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3c2)cc1.
What is the InChIKey of ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole?
The InChIKey is YOACVFURLGEJFJ-PIHOZGLFSA-N. The full InChI is InChI=1S/C54H35NO.C11H12.C2H6/c1-2-16-36(17-3-1)40-20-4-6-22-43(40)45-24-8-9-25-46(45)44-23-7-5-21-41(44)38-32-33-53-50(35-38)49-29-15-28-42(54(49)56-53)37-18-14-19-39(34-37)55-51-30-12-10-26-47(51)48-27-11-13-31-52(48)55;1-3-7-10(2)11-8-5-4-6-9-11;1-2/h1-35H;3-9H,1H2,2H3;1-2H3/b;10-7+;.
What are the key properties of ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole?
ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole has a molecular weight of 888.17 g/mol, XLogP of 19.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole is sourced from PubChem (CID 144644357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).