3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane

C63H67N — CID 144578893

IUPAC3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane
SMILESCC.CC/C=C\C1=C(C)C(C)(C)c2cc(-n3c4ccc(-c5ccc6c(c5)-c5c(ccc(C7=C(C)C=CCC7)c5C(C)CC)C6(C)C)cc4c4cc(-c5ccccc5C)ccc43)ccc21
InChIInChI=1S/C61H61N.C2H6/c1-11-13-20-47-40(6)60(7,8)55-36-44(26-27-48(47)55)62-56-31-24-42(33-50(56)51-35-43(25-32-57(51)62)45-21-16-14-18-38(45)4)41-23-29-53-52(34-41)59-54(61(53,9)10)30-28-49(58(59)37(3)12-2)46-22-17-15-19-39(46)5;1-2/h13-16,18-21,23-37H,11-12,17,22H2,1-10H3;1-2H3/b20-13-;
InChIKeyBKOWQHHSGYNZBY-MASIZSFYSA-N
MW838.24 g/mol
LogP18.43
Rot. Bonds8

About 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane

3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane (PubChem CID 144578893) has the molecular formula C63H67N and a molecular weight of 838.24 g/mol. Its IUPAC name is 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane.

Molecular Properties

Compound Name3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane
PubChem CID144578893
Molecular FormulaC63H67N
Molecular Weight838.24 g/mol
Exact Mass837.53
IUPAC Name3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane
SMILESCC.CC/C=C\C1=C(C)C(C)(C)c2cc(-n3c4ccc(-c5ccc6c(c5)-c5c(ccc(C7=C(C)C=CCC7)c5C(C)CC)C6(C)C)cc4c4cc(-c5ccccc5C)ccc43)ccc21
InChIInChI=1S/C61H61N.C2H6/c1-11-13-20-47-40(6)60(7,8)55-36-44(26-27-48(47)55)62-56-31-24-42(33-50(56)51-35-43(25-32-57(51)62)45-21-16-14-18-38(45)4)41-23-29-53-52(34-41)59-54(61(53,9)10)30-28-49(58(59)37(3)12-2)46-22-17-15-19-39(46)5;1-2/h13-16,18-21,23-37H,11-12,17,22H2,1-10H3;1-2H3/b20-13-;
InChIKeyBKOWQHHSGYNZBY-MASIZSFYSA-N
XLogP18.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.24
LogP ≤ 518.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614223
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
3-[2-butan-2-yl-3-(2-methylphenyl)phenyl]-9-triphenylen-2-ylcarbazole
CID 144803336
7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
CID 144556739
9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole
CID 144578678
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
3-(5,6-dihydrotriphenylen-2-yl)-9-(9,9-dimethyl-21-oxapentacyclo[11.8.0.02,10.03,8.014,20]henicosa-1(13),2(10),3(8),4,6,11,14(20),18-octaen-6-yl)carbazole;ethane
CID 144578540
5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
CID 71016755
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614229
9-(7,7-dimethyl-3,4-dihydrofluoreno[5,6-b][1]benzothiol-9-yl)-6-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-[(1E)-1-(2-methylphenyl)buta-1,3-dien-2-yl]-1,2-dihydrocarbazole;ethane
CID 144578501
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350

Frequently Asked Questions

What is the IUPAC name of 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane?
The IUPAC name of 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane (CID 144578893) is 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane.
What is the SMILES notation for 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane?
The canonical SMILES for 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane is CC.CC/C=C\C1=C(C)C(C)(C)c2cc(-n3c4ccc(-c5ccc6c(c5)-c5c(ccc(C7=C(C)C=CCC7)c5C(C)CC)C6(C)C)cc4c4cc(-c5ccccc5C)ccc43)ccc21.
What is the InChIKey of 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane?
The InChIKey is BKOWQHHSGYNZBY-MASIZSFYSA-N. The full InChI is InChI=1S/C61H61N.C2H6/c1-11-13-20-47-40(6)60(7,8)55-36-44(26-27-48(47)55)62-56-31-24-42(33-50(56)51-35-43(25-32-57(51)62)45-21-16-14-18-38(45)4)41-23-29-53-52(34-41)59-54(61(53,9)10)30-28-49(58(59)37(3)12-2)46-22-17-15-19-39(46)5;1-2/h13-16,18-21,23-37H,11-12,17,22H2,1-10H3;1-2H3/b20-13-;.
What are the key properties of 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane?
3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane has a molecular weight of 838.24 g/mol, XLogP of 18.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane is sourced from PubChem (CID 144578893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).