10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene

C44H31N3 — CID 164589147

IUPAC10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5cc6nc(-c7ccccc7)n(-c7ccccc7)c6cc5cc43)cccc21
InChIInChI=1S/C44H31N3/c1-44(2)35-20-11-9-19-33(35)42-36(44)21-13-23-39(42)47-38-22-12-10-18-32(38)34-24-29-25-37-41(27-30(29)26-40(34)47)46(31-16-7-4-8-17-31)43(45-37)28-14-5-3-6-15-28/h3-27H,1-2H3
InChIKeyGQAJVPISJSPAIQ-UHFFFAOYSA-N
MW601.75 g/mol
LogP11.25
Rot. Bonds3

About 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene

10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene (PubChem CID 164589147) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
PubChem CID164589147
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC Name10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5cc6nc(-c7ccccc7)n(-c7ccccc7)c6cc5cc43)cccc21
InChIInChI=1S/C44H31N3/c1-44(2)35-20-11-9-19-33(35)42-36(44)21-13-23-39(42)47-38-22-12-10-18-32(38)34-24-29-25-37-41(27-30(29)26-40(34)47)46(31-16-7-4-8-17-31)43(45-37)28-14-5-3-6-15-28/h3-27H,1-2H3
InChIKeyGQAJVPISJSPAIQ-UHFFFAOYSA-N
XLogP11.25
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene with MolForge

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Related Compounds

16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 164589031
3-(9,9-dimethylfluoren-4-yl)-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465550
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
3-[9,9-dimethyl-5-[3-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]-9-phenylcarbazole
CID 134595026
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
2-(9,9-dimethylfluoren-4-yl)-4-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]quinazoline
CID 135298558
3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole
CID 138539188
3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole
CID 138539250
2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one
CID 118531848
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-1-phenylbenzimidazole
CID 59195314

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
The IUPAC name of 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene (CID 164589147) is 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene.
What is the SMILES notation for 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
The canonical SMILES for 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5cc6nc(-c7ccccc7)n(-c7ccccc7)c6cc5cc43)cccc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
The InChIKey is GQAJVPISJSPAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3/c1-44(2)35-20-11-9-19-33(35)42-36(44)21-13-23-39(42)47-38-22-12-10-18-32(38)34-24-29-25-37-41(27-30(29)26-40(34)47)46(31-16-7-4-8-17-31)43(45-37)28-14-5-3-6-15-28/h3-27H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene has a molecular weight of 601.75 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene is sourced from PubChem (CID 164589147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).