1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole

C25H23N — CID 118603153

IUPAC1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole
SMILESCC1=C(C)C(C)(C)c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C25H23N/c1-16-17(2)25(3,4)22-14-21-19-12-8-9-13-23(19)26(24(21)15-20(16)22)18-10-6-5-7-11-18/h5-15H,1-4H3
InChIKeySQQQVYIIVZMSHN-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.87
Rot. Bonds1

About 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole

1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole (PubChem CID 118603153) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole.

Molecular Properties

Compound Name1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole
PubChem CID118603153
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole
SMILESCC1=C(C)C(C)(C)c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C25H23N/c1-16-17(2)25(3,4)22-14-21-19-12-8-9-13-23(19)26(24(21)15-20(16)22)18-10-6-5-7-11-18/h5-15H,1-4H3
InChIKeySQQQVYIIVZMSHN-UHFFFAOYSA-N
XLogP6.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
10-bromo-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 122470341
5-(2,6-diphenylpyrimidin-4-yl)-15,15-dimethyl-25-phenyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 118242820
5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166588030
30,30-dimethyl-5-(9-phenylcarbazol-2-yl)-5-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361045
2-methyl-9-phenylcarbazole
CID 59552741

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole?
The IUPAC name of 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole (CID 118603153) is 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole.
What is the SMILES notation for 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole?
The canonical SMILES for 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole is CC1=C(C)C(C)(C)c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole?
The InChIKey is SQQQVYIIVZMSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-16-17(2)25(3,4)22-14-21-19-12-8-9-13-23(19)26(24(21)15-20(16)22)18-10-6-5-7-11-18/h5-15H,1-4H3.
What are the key properties of 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole?
1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole has a molecular weight of 337.47 g/mol, XLogP of 6.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole is sourced from PubChem (CID 118603153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).