9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole

C38H31N — CID 144542227

IUPAC9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole
SMILESCc1ccc2c3ccccc3c3ccc(C4=CC=C(n5c6c(c7ccccc75)CCC=C6)C4(C)C)cc3c2c1
InChIInChI=1S/C38H31N/c1-24-16-18-28-26-10-4-5-11-27(26)29-19-17-25(23-33(29)32(28)22-24)34-20-21-37(38(34,2)3)39-35-14-8-6-12-30(35)31-13-7-9-15-36(31)39/h4-6,8-12,14-23H,7,13H2,1-3H3
InChIKeyUPNRFHXEHNZEDS-UHFFFAOYSA-N
MW501.67 g/mol
LogP10.33
Rot. Bonds2

About 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole

9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole (PubChem CID 144542227) has the molecular formula C38H31N and a molecular weight of 501.67 g/mol. Its IUPAC name is 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole
PubChem CID144542227
Molecular FormulaC38H31N
Molecular Weight501.67 g/mol
Exact Mass501.25
IUPAC Name9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole
SMILESCc1ccc2c3ccccc3c3ccc(C4=CC=C(n5c6c(c7ccccc75)CCC=C6)C4(C)C)cc3c2c1
InChIInChI=1S/C38H31N/c1-24-16-18-28-26-10-4-5-11-27(26)29-19-17-25(23-33(29)32(28)22-24)34-20-21-37(38(34,2)3)39-35-14-8-6-12-30(35)31-13-7-9-15-36(31)39/h4-6,8-12,14-23H,7,13H2,1-3H3
InChIKeyUPNRFHXEHNZEDS-UHFFFAOYSA-N
XLogP10.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
6-methyl-1,2-dihydrotriphenylene
CID 123255484
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
6,9-dimethyl-3,4-dihydrocarbazole
CID 134550715
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
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

Frequently Asked Questions

What is the IUPAC name of 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole (CID 144542227) is 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole is Cc1ccc2c3ccccc3c3ccc(C4=CC=C(n5c6c(c7ccccc75)CCC=C6)C4(C)C)cc3c2c1.
What is the InChIKey of 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole?
The InChIKey is UPNRFHXEHNZEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N/c1-24-16-18-28-26-10-4-5-11-27(26)29-19-17-25(23-33(29)32(28)22-24)34-20-21-37(38(34,2)3)39-35-14-8-6-12-30(35)31-13-7-9-15-36(31)39/h4-6,8-12,14-23H,7,13H2,1-3H3.
What are the key properties of 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole?
9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole has a molecular weight of 501.67 g/mol, XLogP of 10.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5,5-dimethyl-4-(11-methyltriphenylen-2-yl)cyclopenta-1,3-dien-1-yl]-3,4-dihydrocarbazole is sourced from PubChem (CID 144542227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).