11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole

C35H25N — CID 118488779

IUPAC11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C35H25N/c1-35(2)30-17-9-7-14-25(30)28-21-34-29(20-31(28)35)27-16-8-10-18-32(27)36(34)33-19-22-11-3-4-12-23(22)24-13-5-6-15-26(24)33/h3-21H,1-2H3
InChIKeyPCNCMHIAHZAEAJ-UHFFFAOYSA-N
MW459.59 g/mol
LogP9.40
Rot. Bonds1

About 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole

11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole (PubChem CID 118488779) has the molecular formula C35H25N and a molecular weight of 459.59 g/mol. Its IUPAC name is 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole
PubChem CID118488779
Molecular FormulaC35H25N
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC Name11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C35H25N/c1-35(2)30-17-9-7-14-25(30)28-21-34-29(20-31(28)35)27-16-8-10-18-32(27)36(34)33-19-22-11-3-4-12-23(22)24-13-5-6-15-26(24)33/h3-21H,1-2H3
InChIKeyPCNCMHIAHZAEAJ-UHFFFAOYSA-N
XLogP9.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 59.40
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

32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 157189831
3-[4-[9,9-dimethyl-7-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
CID 59236548
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 158224432
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
3-(11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazol-9-yl)-5,11-dipyridin-2-ylindolo[3,2-b]carbazole
CID 129163665
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
CID 86664282
7,7-dimethyl-5-(8-methylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 155130310
5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 176626786
4-carbazol-9-yl-3-[5-cyano-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 129300013
11,11-dimethyl-5-(1-phenylisoquinolin-3-yl)indeno[1,2-b]carbazole
CID 118502176

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole (CID 118488779) is 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc2ccccc2c2ccccc12.
What is the InChIKey of 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole?
The InChIKey is PCNCMHIAHZAEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N/c1-35(2)30-17-9-7-14-25(30)28-21-34-29(20-31(28)35)27-16-8-10-18-32(27)36(34)33-19-22-11-3-4-12-23(22)24-13-5-6-15-26(24)33/h3-21H,1-2H3.
What are the key properties of 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole?
11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole has a molecular weight of 459.59 g/mol, XLogP of 9.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole is sourced from PubChem (CID 118488779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).