5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C48H41N5 — CID 147988073

IUPAC5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(C4=NC(c5ccccc5)N=C(C5C=Cc6c(c7c(n6C6=CCCC=C6)C=CCC7)C5)N4)c3cc21
InChIInChI=1S/C48H41N5/c1-48(2)39-22-12-9-19-33(39)36-28-38-35-21-11-14-24-42(35)53(44(38)29-40(36)48)47-50-45(30-15-5-3-6-16-30)49-46(51-47)31-25-26-43-37(27-31)34-20-10-13-23-41(34)52(43)32-17-7-4-8-18-32/h3,5-7,9,11-19,21-26,28-29,31,45H,4,8,10,20,27H2,1-2H3,(H,49,50,51)
InChIKeyIUNAUBRGWQQLPW-UHFFFAOYSA-N
MW687.89 g/mol
LogP10.84
Rot. Bonds3

About 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 147988073) has the molecular formula C48H41N5 and a molecular weight of 687.89 g/mol. Its IUPAC name is 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID147988073
Molecular FormulaC48H41N5
Molecular Weight687.89 g/mol
Exact Mass687.34
IUPAC Name5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(C4=NC(c5ccccc5)N=C(C5C=Cc6c(c7c(n6C6=CCCC=C6)C=CCC7)C5)N4)c3cc21
InChIInChI=1S/C48H41N5/c1-48(2)39-22-12-9-19-33(39)36-28-38-35-21-11-14-24-42(35)53(44(38)29-40(36)48)47-50-45(30-15-5-3-6-16-30)49-46(51-47)31-25-26-43-37(27-31)34-20-10-13-23-41(34)52(43)32-17-7-4-8-18-32/h3,5-7,9,11-19,21-26,28-29,31,45H,4,8,10,20,27H2,1-2H3,(H,49,50,51)
InChIKeyIUNAUBRGWQQLPW-UHFFFAOYSA-N
XLogP10.84
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 510.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]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

5-[2-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166961031
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine
CID 174366882
5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 134447533
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
3,5-di(carbazol-9-yl)-4-(1,2-dihydrocarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 146325221
5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146498005
24-cyclohexa-1,5-dien-1-yl-12,12-dimethyl-16,18-diphenyl-16,18,24-triaza-1-boraoctacyclo[17.11.1.02,17.03,15.05,13.06,11.023,31.025,30]hentriaconta-2(17),3,5(13),6,8,10,14,19(31),20,22,25,27,29-tridecaene
CID 174036790
7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole
CID 155005585
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500

Frequently Asked Questions

What is the IUPAC name of 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 147988073) is 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(C4=NC(c5ccccc5)N=C(C5C=Cc6c(c7c(n6C6=CCCC=C6)C=CCC7)C5)N4)c3cc21.
What is the InChIKey of 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is IUNAUBRGWQQLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N5/c1-48(2)39-22-12-9-19-33(39)36-28-38-35-21-11-14-24-42(35)53(44(38)29-40(36)48)47-50-45(30-15-5-3-6-16-30)49-46(51-47)31-25-26-43-37(27-31)34-20-10-13-23-41(34)52(43)32-17-7-4-8-18-32/h3,5-7,9,11-19,21-26,28-29,31,45H,4,8,10,20,27H2,1-2H3,(H,49,50,51).
What are the key properties of 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 687.89 g/mol, XLogP of 10.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 147988073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).