2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole

C34H25N — CID 145108706

IUPAC2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole
SMILESc1ccc2c(c1)-c1cc(-c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)ccc1C1CCC21
InChIInChI=1S/C34H25N/c1-2-6-26-25(5-1)27-17-18-28(27)29-15-13-23(19-32(26)29)21-9-11-22(12-10-21)24-14-16-31-30-7-3-4-8-33(30)35-34(31)20-24/h1-16,19-20,27-28,35H,17-18H2
InChIKeyDGVGWTOZEZAUAQ-UHFFFAOYSA-N
MW447.58 g/mol
LogP9.30
Rot. Bonds2

About 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole

2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole (PubChem CID 145108706) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole
PubChem CID145108706
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole
SMILESc1ccc2c(c1)-c1cc(-c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)ccc1C1CCC21
InChIInChI=1S/C34H25N/c1-2-6-26-25(5-1)27-17-18-28(27)29-15-13-23(19-32(26)29)21-9-11-22(12-10-21)24-14-16-31-30-7-3-4-8-33(30)35-34(31)20-24/h1-16,19-20,27-28,35H,17-18H2
InChIKeyDGVGWTOZEZAUAQ-UHFFFAOYSA-N
XLogP9.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 59.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-phenylphenyl)-9H-carbazole
CID 135143847
3-[9-(2-phenylethyl)-9H-fluoren-3-yl]-9H-carbazole
CID 134515903
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985
2-triphenylen-2-yl-9H-carbazole
CID 118922949
10-[3-(9H-carbazol-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine
CID 163464218
2-(5H-benzo[b]phosphindol-4-yl)-9H-carbazole
CID 137483225
7-methyl-5,7-dihydroindeno[2,1-b]carbazole
CID 144782012
7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424780
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole?
The IUPAC name of 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole (CID 145108706) is 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole?
The canonical SMILES for 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole is c1ccc2c(c1)-c1cc(-c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)ccc1C1CCC21.
What is the InChIKey of 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole?
The InChIKey is DGVGWTOZEZAUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N/c1-2-6-26-25(5-1)27-17-18-28(27)29-15-13-23(19-32(26)29)21-9-11-22(12-10-21)24-14-16-31-30-7-3-4-8-33(30)35-34(31)20-24/h1-16,19-20,27-28,35H,17-18H2.
What are the key properties of 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole?
2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole has a molecular weight of 447.58 g/mol, XLogP of 9.30, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 145108706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).