(4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole

C33H27NO — CID 71248620

IUPAC(4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)[C@H]2C=CC=CC2N3c2ccc3oc4ccccc4c3c2)c(C)c1
InChIInChI=1S/C33H27NO/c1-20-16-21(2)33(22(3)17-20)23-12-14-30-27(18-23)25-8-4-6-10-29(25)34(30)24-13-15-32-28(19-24)26-9-5-7-11-31(26)35-32/h4-19,25,29H,1-3H3/t25-,29?/m1/s1
InChIKeyBGBSTYVSXSSORW-MIJJZIGMSA-N
MW453.59 g/mol
LogP8.91
Rot. Bonds2

About (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole

(4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole (PubChem CID 71248620) has the molecular formula C33H27NO and a molecular weight of 453.59 g/mol. Its IUPAC name is (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name(4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole
PubChem CID71248620
Molecular FormulaC33H27NO
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC Name(4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)[C@H]2C=CC=CC2N3c2ccc3oc4ccccc4c3c2)c(C)c1
InChIInChI=1S/C33H27NO/c1-20-16-21(2)33(22(3)17-20)23-12-14-30-27(18-23)25-8-4-6-10-29(25)34(30)24-13-15-32-28(19-24)26-9-5-7-11-31(26)35-32/h4-19,25,29H,1-3H3/t25-,29?/m1/s1
InChIKeyBGBSTYVSXSSORW-MIJJZIGMSA-N
XLogP8.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 88887738
9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 166928424
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole
CID 70956943
9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 144943124
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole
CID 163934988
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
CID 67953610
2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167453257
N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144554231
9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 70834076

Frequently Asked Questions

What is the IUPAC name of (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole?
The IUPAC name of (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole (CID 71248620) is (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole.
What is the SMILES notation for (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole?
The canonical SMILES for (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole is Cc1cc(C)c(-c2ccc3c(c2)[C@H]2C=CC=CC2N3c2ccc3oc4ccccc4c3c2)c(C)c1.
What is the InChIKey of (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole?
The InChIKey is BGBSTYVSXSSORW-MIJJZIGMSA-N. The full InChI is InChI=1S/C33H27NO/c1-20-16-21(2)33(22(3)17-20)23-12-14-30-27(18-23)25-8-4-6-10-29(25)34(30)24-13-15-32-28(19-24)26-9-5-7-11-31(26)35-32/h4-19,25,29H,1-3H3/t25-,29?/m1/s1.
What are the key properties of (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole?
(4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole has a molecular weight of 453.59 g/mol, XLogP of 8.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole is sourced from PubChem (CID 71248620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).