3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole

C36H29NO — CID 146359999

IUPAC3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole
SMILESC1=CCCC(c2ccc(-n3c4ccccc4c4cc(C5=CC=C6OC7C=CC=CC7C6C5)ccc43)cc2)=C1
InChIInChI=1S/C36H29NO/c1-2-8-24(9-3-1)25-14-18-28(19-15-25)37-33-12-6-4-10-29(33)31-22-26(16-20-34(31)37)27-17-21-36-32(23-27)30-11-5-7-13-35(30)38-36/h1-2,4-8,10-22,30,32,35H,3,9,23H2
InChIKeyGHOMJFGJJFRYNM-UHFFFAOYSA-N
MW491.63 g/mol
LogP8.95
Rot. Bonds3

About 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole

3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole (PubChem CID 146359999) has the molecular formula C36H29NO and a molecular weight of 491.63 g/mol. Its IUPAC name is 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole
PubChem CID146359999
Molecular FormulaC36H29NO
Molecular Weight491.63 g/mol
Exact Mass491.22
IUPAC Name3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole
SMILESC1=CCCC(c2ccc(-n3c4ccccc4c4cc(C5=CC=C6OC7C=CC=CC7C6C5)ccc43)cc2)=C1
InChIInChI=1S/C36H29NO/c1-2-8-24(9-3-1)25-14-18-28(19-15-25)37-33-12-6-4-10-29(33)31-22-26(16-20-34(31)37)27-17-21-36-32(23-27)30-11-5-7-13-35(30)38-36/h1-2,4-8,10-22,30,32,35H,3,9,23H2
InChIKeyGHOMJFGJJFRYNM-UHFFFAOYSA-N
XLogP8.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole
CID 129022093
4-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-8-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-azatetracyclo[9.2.1.01,9.02,7]tetradeca-2(7),3,5,12-tetraene
CID 137397705
9-[4-(4a,10a-dihydrophenoxazin-10-yl)phenyl]-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(4-methylphenyl)carbazol-2-amine
CID 130250529
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
CID 168762802
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236515
9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
CID 118534055
9-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-3-(9-naphthalen-1-yl-1,9a-dihydrocarbazol-3-yl)carbazole
CID 170143175
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole
CID 170375447

Frequently Asked Questions

What is the IUPAC name of 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole?
The IUPAC name of 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole (CID 146359999) is 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole.
What is the SMILES notation for 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole?
The canonical SMILES for 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole is C1=CCCC(c2ccc(-n3c4ccccc4c4cc(C5=CC=C6OC7C=CC=CC7C6C5)ccc43)cc2)=C1.
What is the InChIKey of 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole?
The InChIKey is GHOMJFGJJFRYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29NO/c1-2-8-24(9-3-1)25-14-18-28(19-15-25)37-33-12-6-4-10-29(33)31-22-26(16-20-34(31)37)27-17-21-36-32(23-27)30-11-5-7-13-35(30)38-36/h1-2,4-8,10-22,30,32,35H,3,9,23H2.
What are the key properties of 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole?
3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole has a molecular weight of 491.63 g/mol, XLogP of 8.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole is sourced from PubChem (CID 146359999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).