6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole

C57H50N2O — CID 163678757

IUPAC6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole
SMILESCC1(C)C2=C(CCC=C2C2=CC(n3c4c(c5ccccc53)CC(c3ccc5c(c3)c3c(n5-c5ccccc5)C=CCC3)C=C4)Cc3oc4c(c32)=CCCC=4)C2C=CC=CC21
InChIInChI=1S/C57H50N2O/c1-57(2)48-23-10-6-17-39(48)42-21-14-22-43(56(42)57)47-33-38(34-54-55(47)44-20-9-13-26-53(44)60-54)59-50-25-12-8-19-41(50)46-32-36(28-30-52(46)59)35-27-29-51-45(31-35)40-18-7-11-24-49(40)58(51)37-15-4-3-5-16-37/h3-6,8,10-12,15-17,19-20,22-31,33,36,38-39,48H,7,9,13-14,18,21,32,34H2,1-2H3
InChIKeyJJAGGGMBCOLJHS-UHFFFAOYSA-N
MW779.04 g/mol
LogP12.44
Rot. Bonds4

About 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole

6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole (PubChem CID 163678757) has the molecular formula C57H50N2O and a molecular weight of 779.04 g/mol. Its IUPAC name is 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole
PubChem CID163678757
Molecular FormulaC57H50N2O
Molecular Weight779.04 g/mol
Exact Mass778.39
IUPAC Name6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole
SMILESCC1(C)C2=C(CCC=C2C2=CC(n3c4c(c5ccccc53)CC(c3ccc5c(c3)c3c(n5-c5ccccc5)C=CCC3)C=C4)Cc3oc4c(c32)=CCCC=4)C2C=CC=CC21
InChIInChI=1S/C57H50N2O/c1-57(2)48-23-10-6-17-39(48)42-21-14-22-43(56(42)57)47-33-38(34-54-55(47)44-20-9-13-26-53(44)60-54)59-50-25-12-8-19-41(50)46-32-36(28-30-52(46)59)35-27-29-51-45(31-35)40-18-7-11-24-49(40)58(51)37-15-4-3-5-16-37/h3-6,8,10-12,15-17,19-20,22-31,33,36,38-39,48H,7,9,13-14,18,21,32,34H2,1-2H3
InChIKeyJJAGGGMBCOLJHS-UHFFFAOYSA-N
XLogP12.44
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.04
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole with MolForge

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Related Compounds

5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole
CID 145370305
6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane
CID 144579160
N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
2-(4-methylphenyl)-5-[4-[3-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 71086025
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole
CID 118535789
3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
CID 166953173
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
CID 134390909
5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),6,11,13,15,17,19,21-decaene
CID 134301201

Frequently Asked Questions

What is the IUPAC name of 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole?
The IUPAC name of 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole (CID 163678757) is 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole.
What is the SMILES notation for 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole?
The canonical SMILES for 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole is CC1(C)C2=C(CCC=C2C2=CC(n3c4c(c5ccccc53)CC(c3ccc5c(c3)c3c(n5-c5ccccc5)C=CCC3)C=C4)Cc3oc4c(c32)=CCCC=4)C2C=CC=CC21.
What is the InChIKey of 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole?
The InChIKey is JJAGGGMBCOLJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50N2O/c1-57(2)48-23-10-6-17-39(48)42-21-14-22-43(56(42)57)47-33-38(34-54-55(47)44-20-9-13-26-53(44)60-54)59-50-25-12-8-19-41(50)46-32-36(28-30-52(46)59)35-27-29-51-45(31-35)40-18-7-11-24-49(40)58(51)37-15-4-3-5-16-37/h3-6,8,10-12,15-17,19-20,22-31,33,36,38-39,48H,7,9,13-14,18,21,32,34H2,1-2H3.
What are the key properties of 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole?
6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole has a molecular weight of 779.04 g/mol, XLogP of 12.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole is sourced from PubChem (CID 163678757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).