2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

C39H28N2 — CID 139504500

IUPAC2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C39H28N2/c1-39(2)33-17-9-6-14-27(33)30-23-32-31-22-26(41-35-18-10-7-15-28(35)29-16-8-11-19-36(29)41)20-21-37(31)40(38(32)24-34(30)39)25-12-4-3-5-13-25/h3-24H,1-2H3
InChIKeySDHJNCCYDGJOCL-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.19
Rot. Bonds2

About 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 139504500) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
PubChem CID139504500
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C39H28N2/c1-39(2)33-17-9-6-14-27(33)30-23-32-31-22-26(41-35-18-10-7-15-28(35)29-16-8-11-19-36(29)41)20-21-37(31)40(38(32)24-34(30)39)25-12-4-3-5-13-25/h3-24H,1-2H3
InChIKeySDHJNCCYDGJOCL-UHFFFAOYSA-N
XLogP10.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
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
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione
CID 122491611
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
14-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598377
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
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
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
7,7-dimethyl-5-(9-phenylcarbazol-3-yl)-2,3-dihydroindeno[2,1-b]carbazole
CID 146751614

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The IUPAC name of 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (CID 139504500) is 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The InChIKey is SDHJNCCYDGJOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-39(2)33-17-9-6-14-27(33)30-23-32-31-22-26(41-35-18-10-7-15-28(35)29-16-8-11-19-36(29)41)20-21-37(31)40(38(32)24-34(30)39)25-12-4-3-5-13-25/h3-24H,1-2H3.
What are the key properties of 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 524.67 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 139504500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).