6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole

C46H35N — CID 118527854

IUPAC6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(n4-c4ccc5c6c(c7ccccc7c5c4)=CCC=CC=6)C=CCC3)cc21
InChIInChI=1S/C46H35N/c1-46(2)42-18-10-8-16-37(42)38-23-20-30(27-43(38)46)29-21-25-45-41(26-29)39-17-9-11-19-44(39)47(45)31-22-24-36-34-13-5-3-4-12-32(34)33-14-6-7-15-35(33)40(36)28-31/h3,5-8,10-16,18-28H,4,9,17H2,1-2H3
InChIKeyGRFPBRIJDHMNFL-UHFFFAOYSA-N
MW601.79 g/mol
LogP10.39
Rot. Bonds2

About 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole

6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole (PubChem CID 118527854) has the molecular formula C46H35N and a molecular weight of 601.79 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole
PubChem CID118527854
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(n4-c4ccc5c6c(c7ccccc7c5c4)=CCC=CC=6)C=CCC3)cc21
InChIInChI=1S/C46H35N/c1-46(2)42-18-10-8-16-37(42)38-23-20-30(27-43(38)46)29-21-25-45-41(26-29)39-17-9-11-19-44(39)47(45)31-22-24-36-34-13-5-3-4-12-32(34)33-14-6-7-15-35(33)40(36)28-31/h3,5-8,10-16,18-28H,4,9,17H2,1-2H3
InChIKeyGRFPBRIJDHMNFL-UHFFFAOYSA-N
XLogP10.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole with MolForge

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Related Compounds

9-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-(1,2,5,6-tetrahydrocarbazol-9-yl)anthracen-2-yl]-3,4-dihydrocarbazole
CID 89110828
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
9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 89338237
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
CID 129084148
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline
CID 118507114
9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole (CID 118527854) is 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(n4-c4ccc5c6c(c7ccccc7c5c4)=CCC=CC=6)C=CCC3)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole?
The InChIKey is GRFPBRIJDHMNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-46(2)42-18-10-8-16-37(42)38-23-20-30(27-43(38)46)29-21-25-45-41(26-29)39-17-9-11-19-44(39)47(45)31-22-24-36-34-13-5-3-4-12-32(34)33-14-6-7-15-35(33)40(36)28-31/h3,5-8,10-16,18-28H,4,9,17H2,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole?
6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole has a molecular weight of 601.79 g/mol, XLogP of 10.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole is sourced from PubChem (CID 118527854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).