6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

C36H24N2 — CID 169309425

IUPAC6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc(-c2cc3c4cc5c(cc4n(-c4ccccc4)c3cn2)C(c2ccccc2)c2ccccc2-5)cc1
InChIInChI=1S/C36H24N2/c1-4-12-24(13-5-1)33-21-31-30-20-29-27-18-10-11-19-28(27)36(25-14-6-2-7-15-25)32(29)22-34(30)38(35(31)23-37-33)26-16-8-3-9-17-26/h1-23,36H
InChIKeyUDCXZHJJIGEKHH-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.01
Rot. Bonds3

About 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 169309425) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID169309425
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc(-c2cc3c4cc5c(cc4n(-c4ccccc4)c3cn2)C(c2ccccc2)c2ccccc2-5)cc1
InChIInChI=1S/C36H24N2/c1-4-12-24(13-5-1)33-21-31-30-20-29-27-18-10-11-19-28(27)36(25-14-6-2-7-15-25)32(29)22-34(30)38(35(31)23-37-33)26-16-8-3-9-17-26/h1-23,36H
InChIKeyUDCXZHJJIGEKHH-UHFFFAOYSA-N
XLogP9.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

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5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
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2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
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3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
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5-naphthalen-2-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-2-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-2-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole
CID 159195289
14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole
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9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
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4-phenyl-9-(9-phenyl-9H-fluoren-3-yl)carbazole
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5-naphthalen-1-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-1-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-1-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole
CID 161072223

Frequently Asked Questions

What is the IUPAC name of 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 169309425) is 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc(-c2cc3c4cc5c(cc4n(-c4ccccc4)c3cn2)C(c2ccccc2)c2ccccc2-5)cc1.
What is the InChIKey of 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is UDCXZHJJIGEKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-4-12-24(13-5-1)33-21-31-30-20-29-27-18-10-11-19-28(27)36(25-14-6-2-7-15-25)32(29)22-34(30)38(35(31)23-37-33)26-16-8-3-9-17-26/h1-23,36H.
What are the key properties of 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 484.60 g/mol, XLogP of 9.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 169309425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).