9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole

C55H47N — CID 146658648

IUPAC9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole
SMILESCC1c2ccc(C3=CC4C5=C(CCC=C5)N(c5ccc6c(c5)-c5ccccc5C6(C)C)C4C=C3)cc2-c2ccccc2CC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C55H47N/c1-35-43-27-24-38(31-48(43)44-19-8-7-16-41(44)33-47(35)40-18-13-17-37(30-40)36-14-5-4-6-15-36)39-25-29-54-50(32-39)46-21-10-12-23-53(46)56(54)42-26-28-52-49(34-42)45-20-9-11-22-51(45)55(52,2)3/h4-11,13-22,24-32,34-35,47,50,54H,12,23,33H2,1-3H3
InChIKeyWLCUBYCNEQQFQE-UHFFFAOYSA-N
MW721.99 g/mol
LogP13.83
Rot. Bonds4

About 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole

9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole (PubChem CID 146658648) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole
PubChem CID146658648
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole
SMILESCC1c2ccc(C3=CC4C5=C(CCC=C5)N(c5ccc6c(c5)-c5ccccc5C6(C)C)C4C=C3)cc2-c2ccccc2CC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C55H47N/c1-35-43-27-24-38(31-48(43)44-19-8-7-16-41(44)33-47(35)40-18-13-17-37(30-40)36-14-5-4-6-15-36)39-25-29-54-50(32-39)46-21-10-12-23-53(46)56(54)42-26-28-52-49(34-42)45-20-9-11-22-51(45)55(52,2)3/h4-11,13-22,24-32,34-35,47,50,54H,12,23,33H2,1-3H3
InChIKeyWLCUBYCNEQQFQE-UHFFFAOYSA-N
XLogP13.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole with MolForge

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Related Compounds

3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 170078460
8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 143904645
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole
CID 169131711
N-[2-[3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]phenyl]phenyl]-N-phenylpyridin-3-amine
CID 144640109
9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 146395767
2-(3,4,5a,11a-tetrahydrobenzo[b]carbazol-5-yl)-5-[3-[4-(9,10-dihydrophenanthren-9-yl)-1-phenyl-2H-1,3-diazet-2-yl]phenyl]benzo[b]carbazole
CID 139569963
10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole
CID 66807364
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 156826935
3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole
CID 162048900
3-[(2S)-3-cyclohexa-1,3-dien-1-yl-9-(9,9-dimethylfluoren-3-yl)-14-tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6(11),7,9,13,15-hexaenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 144955886

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole (CID 146658648) is 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole is CC1c2ccc(C3=CC4C5=C(CCC=C5)N(c5ccc6c(c5)-c5ccccc5C6(C)C)C4C=C3)cc2-c2ccccc2CC1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole?
The InChIKey is WLCUBYCNEQQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-35-43-27-24-38(31-48(43)44-19-8-7-16-41(44)33-47(35)40-18-13-17-37(30-40)36-14-5-4-6-15-36)39-25-29-54-50(32-39)46-21-10-12-23-53(46)56(54)42-26-28-52-49(34-42)45-20-9-11-22-51(45)55(52,2)3/h4-11,13-22,24-32,34-35,47,50,54H,12,23,33H2,1-3H3.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole?
9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole has a molecular weight of 721.99 g/mol, XLogP of 13.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole is sourced from PubChem (CID 146658648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).