12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C47H31N3 — CID 122434608

IUPAC12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESCC1(C)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2-c2cc(-c3ncc4c(n3)-c3cccc5cccc-4c35)ccc21
InChIInChI=1S/C47H31N3/c1-47(2)40-22-19-29(30-18-21-34-33-14-6-7-17-42(33)50(43(34)26-30)32-12-4-3-5-13-32)24-37(40)38-25-31(20-23-41(38)47)46-48-27-39-35-15-8-10-28-11-9-16-36(44(28)35)45(39)49-46/h3-27H,1-2H3
InChIKeyWRPAOCDZIZJSHV-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.01
Rot. Bonds3

About 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 122434608) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID122434608
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESCC1(C)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2-c2cc(-c3ncc4c(n3)-c3cccc5cccc-4c35)ccc21
InChIInChI=1S/C47H31N3/c1-47(2)40-22-19-29(30-18-21-34-33-14-6-7-17-42(33)50(43(34)26-30)32-12-4-3-5-13-32)24-37(40)38-25-31(20-23-41(38)47)46-48-27-39-35-15-8-10-28-11-9-16-36(44(28)35)45(39)49-46/h3-27H,1-2H3
InChIKeyWRPAOCDZIZJSHV-UHFFFAOYSA-N
XLogP12.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene 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-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466417
12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122434620
7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 163460513
5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118580618
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
2-(9,9-dimethylfluoren-3-yl)-9-[2-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-4-[3-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]carbazole
CID 126632204
11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole
CID 169035317
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155278950
2-(9,9-dimethylfluoren-3-yl)-4-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;2-naphthalen-2-yl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline;2-phenyl-4-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 159036091
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025
14-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 122466557

Frequently Asked Questions

What is the IUPAC name of 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 122434608) is 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is CC1(C)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2-c2cc(-c3ncc4c(n3)-c3cccc5cccc-4c35)ccc21.
What is the InChIKey of 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is WRPAOCDZIZJSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-47(2)40-22-19-29(30-18-21-34-33-14-6-7-17-42(33)50(43(34)26-30)32-12-4-3-5-13-32)24-37(40)38-25-31(20-23-41(38)47)46-48-27-39-35-15-8-10-28-11-9-16-36(44(28)35)45(39)49-46/h3-27H,1-2H3.
What are the key properties of 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 637.79 g/mol, XLogP of 12.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 122434608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).