9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole

C33H28N2 — CID 138613982

IUPAC9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
SMILESCCn1c2ccccc2c2ccc(C3=CC4c5cc(-c6ccccc6)ccc5N(C)C4C=C3)cc21
InChIInChI=1S/C33H28N2/c1-3-35-32-12-8-7-11-26(32)27-16-13-25(21-33(27)35)24-15-18-31-29(20-24)28-19-23(14-17-30(28)34(31)2)22-9-5-4-6-10-22/h4-21,29,31H,3H2,1-2H3
InChIKeyYNEJAEMTKUKPAS-UHFFFAOYSA-N
MW452.60 g/mol
LogP8.04
Rot. Bonds3

About 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole

9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole (PubChem CID 138613982) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
PubChem CID138613982
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC Name9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
SMILESCCn1c2ccccc2c2ccc(C3=CC4c5cc(-c6ccccc6)ccc5N(C)C4C=C3)cc21
InChIInChI=1S/C33H28N2/c1-3-35-32-12-8-7-11-26(32)27-16-13-25(21-33(27)35)24-15-18-31-29(20-24)28-19-23(14-17-30(28)34(31)2)22-9-5-4-6-10-22/h4-21,29,31H,3H2,1-2H3
InChIKeyYNEJAEMTKUKPAS-UHFFFAOYSA-N
XLogP8.04
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
CID 88867268
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
9-ethyl-2-methylcarbazole
CID 19788789
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
23-ethyl-N,N-bis(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 86677000
2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155334274
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenyl-4a,9a-dihydrocarbazole
CID 138666201

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole (CID 138613982) is 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole is CCn1c2ccccc2c2ccc(C3=CC4c5cc(-c6ccccc6)ccc5N(C)C4C=C3)cc21.
What is the InChIKey of 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole?
The InChIKey is YNEJAEMTKUKPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2/c1-3-35-32-12-8-7-11-26(32)27-16-13-25(21-33(27)35)24-15-18-31-29(20-24)28-19-23(14-17-30(28)34(31)2)22-9-5-4-6-10-22/h4-21,29,31H,3H2,1-2H3.
What are the key properties of 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole?
9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole has a molecular weight of 452.60 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-(9-methyl-6-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 138613982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).