3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C42H28N2 — CID 130325922

IUPAC3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc4c5c(cccc5n3)-c3ccccc3-4)cc21
InChIInChI=1S/C42H28N2/c1-42(2)35-15-7-5-12-29(35)30-20-18-26(23-36(30)42)25-19-21-39-33(22-25)31-13-6-8-17-38(31)44(39)40-24-34-28-11-4-3-10-27(28)32-14-9-16-37(43-40)41(32)34/h3-24H,1-2H3
InChIKeyFANMICGLWYHEHX-UHFFFAOYSA-N
MW560.70 g/mol
LogP10.95
Rot. Bonds2

About 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 130325922) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

Compound Name3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
PubChem CID130325922
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc4c5c(cccc5n3)-c3ccccc3-4)cc21
InChIInChI=1S/C42H28N2/c1-42(2)35-15-7-5-12-29(35)30-20-18-26(23-36(30)42)25-19-21-39-33(22-25)31-13-6-8-17-38(31)44(39)40-24-34-28-11-4-3-10-27(28)32-14-9-16-37(43-40)41(32)34/h3-24H,1-2H3
InChIKeyFANMICGLWYHEHX-UHFFFAOYSA-N
XLogP10.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene with MolForge

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Related Compounds

3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325916
8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163871905
3-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325925
15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163901716
15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163590697
3-(3-dibenzothiophen-2-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325912
3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
CID 130295137
3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole
CID 71291314
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
7-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-3-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326706
3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 67678505
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 130325922) is 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.
What is the SMILES notation for 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The canonical SMILES for 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc4c5c(cccc5n3)-c3ccccc3-4)cc21.
What is the InChIKey of 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The InChIKey is FANMICGLWYHEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-42(2)35-15-7-5-12-29(35)30-20-18-26(23-36(30)42)25-19-21-39-33(22-25)31-13-6-8-17-38(31)44(39)40-24-34-28-11-4-3-10-27(28)32-14-9-16-37(43-40)41(32)34/h3-24H,1-2H3.
What are the key properties of 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 560.70 g/mol, XLogP of 10.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 130325922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).