2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole

C43H31NO — CID 145318401

IUPAC2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESCc1ccc(-c2ccc3oc4c(-c5ccc(C6=CC7C(C=C6)c6ccccc6N7c6ccccc6)cc5)cccc4c3c2)cc1
InChIInChI=1S/C43H31NO/c1-28-14-16-29(17-15-28)32-23-25-42-39(26-32)38-12-7-11-35(43(38)45-42)31-20-18-30(19-21-31)33-22-24-37-36-10-5-6-13-40(36)44(41(37)27-33)34-8-3-2-4-9-34/h2-27,37,41H,1H3
InChIKeySFLGATDHHOUQLA-UHFFFAOYSA-N
MW577.73 g/mol
LogP11.49
Rot. Bonds4

About 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole

2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole (PubChem CID 145318401) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
PubChem CID145318401
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC Name2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESCc1ccc(-c2ccc3oc4c(-c5ccc(C6=CC7C(C=C6)c6ccccc6N7c6ccccc6)cc5)cccc4c3c2)cc1
InChIInChI=1S/C43H31NO/c1-28-14-16-29(17-15-28)32-23-25-42-39(26-32)38-12-7-11-35(43(38)45-42)31-20-18-30(19-21-31)33-22-24-37-36-10-5-6-13-40(36)44(41(37)27-33)34-8-3-2-4-9-34/h2-27,37,41H,1H3
InChIKeySFLGATDHHOUQLA-UHFFFAOYSA-N
XLogP11.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
CID 170137084
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
2-phenyl-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-4a,9a-dihydrocarbazole
CID 174278251
9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole
CID 144670243
9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole
CID 166988242
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine
CID 168814675
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
3-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-9-phenyl-4a,9a-dihydrocarbazole
CID 171405969
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
CID 174270597
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole?
The IUPAC name of 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole (CID 145318401) is 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole.
What is the SMILES notation for 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole?
The canonical SMILES for 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole is Cc1ccc(-c2ccc3oc4c(-c5ccc(C6=CC7C(C=C6)c6ccccc6N7c6ccccc6)cc5)cccc4c3c2)cc1.
What is the InChIKey of 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole?
The InChIKey is SFLGATDHHOUQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-28-14-16-29(17-15-28)32-23-25-42-39(26-32)38-12-7-11-35(43(38)45-42)31-20-18-30(19-21-31)33-22-24-37-36-10-5-6-13-40(36)44(41(37)27-33)34-8-3-2-4-9-34/h2-27,37,41H,1H3.
What are the key properties of 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole?
2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole has a molecular weight of 577.73 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole is sourced from PubChem (CID 145318401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).