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

C39H27N — CID 118488496

IUPAC11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C39H27N/c1-39(2)35-17-9-7-15-30(35)33-23-38-34(22-36(33)39)31-16-8-10-18-37(31)40(38)24-19-20-29-27-13-4-3-11-25(27)26-12-5-6-14-28(26)32(29)21-24/h3-23H,1-2H3
InChIKeyADXXRZFQZKETSW-UHFFFAOYSA-N
MW509.65 g/mol
LogP10.55
Rot. Bonds1

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

11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole (PubChem CID 118488496) has the molecular formula C39H27N and a molecular weight of 509.65 g/mol. Its IUPAC name is 11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
PubChem CID118488496
Molecular FormulaC39H27N
Molecular Weight509.65 g/mol
Exact Mass509.21
IUPAC Name11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C39H27N/c1-39(2)35-17-9-7-15-30(35)33-23-38-34(22-36(33)39)31-16-8-10-18-37(31)40(38)24-19-20-29-27-13-4-3-11-25(27)26-12-5-6-14-28(26)32(29)21-24/h3-23H,1-2H3
InChIKeyADXXRZFQZKETSW-UHFFFAOYSA-N
XLogP10.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 510.55
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

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-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
CID 134551753
CID 134551753
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
[3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 165164081
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
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
25-carbazol-9-yl-22-dibenzothiophen-2-yl-32,32-dimethyl-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23(28),24,26,29-pentadecaene
CID 90222706

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole (CID 118488496) is 11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole?
The InChIKey is ADXXRZFQZKETSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N/c1-39(2)35-17-9-7-15-30(35)33-23-38-34(22-36(33)39)31-16-8-10-18-37(31)40(38)24-19-20-29-27-13-4-3-11-25(27)26-12-5-6-14-28(26)32(29)21-24/h3-23H,1-2H3.
What are the key properties of 11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole?
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole has a molecular weight of 509.65 g/mol, XLogP of 10.55, 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-triphenylen-2-ylindeno[1,2-b]carbazole is sourced from PubChem (CID 118488496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).