2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole

C38H32N2O — CID 163580956

IUPAC2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole
SMILESCC1C=Cc2c(n(-c3ccc4c(c3)oc3cc(-n5c6c(c7c5C(C)CC=C7)CCC=C6)ccc34)c3ccccc23)C1
InChIInChI=1S/C38H32N2O/c1-23-14-17-29-27-9-3-5-12-33(27)39(35(29)20-23)25-15-18-30-31-19-16-26(22-37(31)41-36(30)21-25)40-34-13-6-4-10-28(34)32-11-7-8-24(2)38(32)40/h3,5-7,9,11-19,21-24H,4,8,10,20H2,1-2H3
InChIKeyGHMNFDPPKZGXQL-UHFFFAOYSA-N
MW532.69 g/mol
LogP10.01
Rot. Bonds2

About 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole

2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole (PubChem CID 163580956) has the molecular formula C38H32N2O and a molecular weight of 532.69 g/mol. Its IUPAC name is 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole
PubChem CID163580956
Molecular FormulaC38H32N2O
Molecular Weight532.69 g/mol
Exact Mass532.25
IUPAC Name2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole
SMILESCC1C=Cc2c(n(-c3ccc4c(c3)oc3cc(-n5c6c(c7c5C(C)CC=C7)CCC=C6)ccc34)c3ccccc23)C1
InChIInChI=1S/C38H32N2O/c1-23-14-17-29-27-9-3-5-12-33(27)39(35(29)20-23)25-15-18-30-31-19-16-26(22-37(31)41-36(30)21-25)40-34-13-6-4-10-28(34)32-11-7-8-24(2)38(32)40/h3,5-7,9,11-19,21-24H,4,8,10,20H2,1-2H3
InChIKeyGHMNFDPPKZGXQL-UHFFFAOYSA-N
XLogP10.01
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole
CID 167029821
9-[3-(1,2-dihydrocarbazol-9-ylmethyl)phenyl]-1-methyl-1,2-dihydrocarbazole
CID 156510593
9-[3-(1,2-dihydrocarbazol-9-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2-methyl-1,2-dihydrocarbazole
CID 146321185
8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine
CID 130286894
(2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole
CID 126739228
3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 163785527
6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
CID 166003071
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
9-(4-prop-1-en-2-ylphenyl)-1,2-dihydrocarbazole
CID 145237248
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole?
The IUPAC name of 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole (CID 163580956) is 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole is CC1C=Cc2c(n(-c3ccc4c(c3)oc3cc(-n5c6c(c7c5C(C)CC=C7)CCC=C6)ccc34)c3ccccc23)C1.
What is the InChIKey of 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole?
The InChIKey is GHMNFDPPKZGXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O/c1-23-14-17-29-27-9-3-5-12-33(27)39(35(29)20-23)25-15-18-30-31-19-16-26(22-37(31)41-36(30)21-25)40-34-13-6-4-10-28(34)32-11-7-8-24(2)38(32)40/h3,5-7,9,11-19,21-24H,4,8,10,20H2,1-2H3.
What are the key properties of 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole?
2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole has a molecular weight of 532.69 g/mol, XLogP of 10.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 163580956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).