9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C46H32N2 — CID 122595603

IUPAC9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILES[2H]C([2H])([2H])C1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6C7)c5ccc43)cc21
InChIInChI=1S/C46H32N2/c1-46(2)38-16-8-5-13-33(38)34-22-21-31(27-39(34)46)48-41-18-10-7-15-36(41)45-43(48)24-23-42-44(45)35-14-6-9-17-40(35)47(42)30-20-19-29-25-28-11-3-4-12-32(28)37(29)26-30/h3-24,26-27H,25H2,1-2H3/i1D3
InChIKeyGUGNEXXOMHJEDP-FIBGUPNXSA-N
MW615.79 g/mol
LogP11.76
Rot. Bonds3

About 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 122595603) has the molecular formula C46H32N2 and a molecular weight of 615.79 g/mol. Its IUPAC name is 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID122595603
Molecular FormulaC46H32N2
Molecular Weight615.79 g/mol
Exact Mass615.28
IUPAC Name9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILES[2H]C([2H])([2H])C1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6C7)c5ccc43)cc21
InChIInChI=1S/C46H32N2/c1-46(2)38-16-8-5-13-33(38)34-22-21-31(27-39(34)46)48-41-18-10-7-15-36(41)45-43(48)24-23-42-44(45)35-14-6-9-17-40(35)47(42)30-20-19-29-25-28-11-3-4-12-32(28)37(29)26-30/h3-24,26-27H,25H2,1-2H3/i1D3
InChIKeyGUGNEXXOMHJEDP-FIBGUPNXSA-N
XLogP11.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.79
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595599
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163468224
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
9-(9,9-dimethylfluoren-2-yl)-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501110
2-bromo-9,9-dimethylfluorene;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 157054225
9-[7-(9H-fluoren-2-yl)-9H-fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285115
9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134488168
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-14-(9,9-dimethylfluoren-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122469773

Frequently Asked Questions

What is the IUPAC name of 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 122595603) is 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is [2H]C([2H])([2H])C1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6C7)c5ccc43)cc21.
What is the InChIKey of 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is GUGNEXXOMHJEDP-FIBGUPNXSA-N. The full InChI is InChI=1S/C46H32N2/c1-46(2)38-16-8-5-13-33(38)34-22-21-31(27-39(34)46)48-41-18-10-7-15-36(41)45-43(48)24-23-42-44(45)35-14-6-9-17-40(35)47(42)30-20-19-29-25-28-11-3-4-12-32(28)37(29)26-30/h3-24,26-27H,25H2,1-2H3/i1D3.
What are the key properties of 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 615.79 g/mol, XLogP of 11.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-fluoren-3-yl)-14-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 122595603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).