7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole

C39H27N3 — CID 90324605

IUPAC7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c21
InChIInChI=1S/C39H27N3/c1-39(2)31-11-5-3-10-30(31)35-32(39)21-20-29-28-9-4-6-12-34(28)42(38(29)35)27-18-15-24(16-19-27)33-22-17-26-14-13-25-8-7-23-40-36(25)37(26)41-33/h3-23H,1-2H3
InChIKeyKDNFTZGPOCGVRG-UHFFFAOYSA-N
MW537.67 g/mol
LogP9.85
Rot. Bonds2

About 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole

7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole (PubChem CID 90324605) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole
PubChem CID90324605
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC Name7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c21
InChIInChI=1S/C39H27N3/c1-39(2)31-11-5-3-10-30(31)35-32(39)21-20-29-28-9-4-6-12-34(28)42(38(29)35)27-18-15-24(16-19-27)33-22-17-26-14-13-25-8-7-23-40-36(25)37(26)41-33/h3-23H,1-2H3
InChIKeyKDNFTZGPOCGVRG-UHFFFAOYSA-N
XLogP9.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556
14,14-dimethyl-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90324728
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 129264506
2'-(1,10-phenanthrolin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 90246647
12-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 121343632
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122464854

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole?
The IUPAC name of 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole (CID 90324605) is 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole.
What is the SMILES notation for 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole?
The canonical SMILES for 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c21.
What is the InChIKey of 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole?
The InChIKey is KDNFTZGPOCGVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-39(2)31-11-5-3-10-30(31)35-32(39)21-20-29-28-9-4-6-12-34(28)42(38(29)35)27-18-15-24(16-19-27)33-22-17-26-14-13-25-8-7-23-40-36(25)37(26)41-33/h3-23H,1-2H3.
What are the key properties of 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole?
7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole has a molecular weight of 537.67 g/mol, XLogP of 9.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole is sourced from PubChem (CID 90324605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).