9,14-bis[2-(4-phenylphenyl)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;ethane

C60H54N2 — CID 177063693

IUPAC9,14-bis[2-(4-phenylphenyl)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;ethane
SMILESCC.CC.CC.c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1
InChIInChI=1S/C54H36N2.3C2H6/c1-3-15-37(16-4-1)39-27-31-41(32-28-39)43-19-7-11-23-47(43)55-49-25-13-9-21-45(49)53-51(55)35-36-52-54(53)46-22-10-14-26-50(46)56(52)48-24-12-8-20-44(48)42-33-29-40(30-34-42)38-17-5-2-6-18-38;3*1-2/h1-36H;3*1-2H3
InChIKeyQCNLIRKUVMUVIU-UHFFFAOYSA-N
MW803.11 g/mol
LogP17.63
Rot. Bonds6

About 9,14-bis[2-(4-phenylphenyl)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;ethane

9,14-bis[2-(4-phenylphenyl)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;ethane (PubChem CID 177063693) has the molecular formula C60H54N2 and a molecular weight of 803.11 g/mol. Its IUPAC name is 9,14-bis[2-(4-phenylphenyl)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;ethane.

Molecular Properties

Compound Name9,14-bis[2-(4-phenylphenyl)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;ethane
PubChem CID177063693
Molecular FormulaC60H54N2
Molecular Weight803.11 g/mol
Exact Mass802.43
IUPAC Name9,14-bis[2-(4-phenylphenyl)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;ethane
SMILESCC.CC.CC.c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1
InChIInChI=1S/C54H36N2.3C2H6/c1-3-15-37(16-4-1)39-27-31-41(32-28-39)43-19-7-11-23-47(43)55-49-25-13-9-21-45(49)53-51(55)35-36-52-54(53)46-22-10-14-26-50(46)56(52)48-24-12-8-20-44(48)42-33-29-40(30-34-42)38-17-5-2-6-18-38;3*1-2/h1-36H;3*1-2H3
InChIKeyQCNLIRKUVMUVIU-UHFFFAOYSA-N
XLogP17.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.11
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,14-bis[2-(4-phenylphenyl)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;ethane with MolForge

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Related Compounds

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;ethane
CID 177063537
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
4-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454723
9-(2,4-diphenylphenyl)-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 176781515
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-methyl-4-phenylaniline
CID 170227325
9-(2,5-diphenylphenyl)-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 170352987
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167322316
9-[2-(5,9-diphenylcarbazol-2-yl)phenyl]-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 176824343
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594

Frequently Asked Questions

What is the IUPAC name of 9,14-bis[2-(4-phenylphenyl)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;ethane?
The IUPAC name of 9,14-bis[2-(4-phenylphenyl)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;ethane (CID 177063693) is 9,14-bis[2-(4-phenylphenyl)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;ethane.
What is the SMILES notation for 9,14-bis[2-(4-phenylphenyl)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;ethane?
The canonical SMILES for 9,14-bis[2-(4-phenylphenyl)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;ethane is CC.CC.CC.c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1.
What is the InChIKey of 9,14-bis[2-(4-phenylphenyl)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;ethane?
The InChIKey is QCNLIRKUVMUVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2.3C2H6/c1-3-15-37(16-4-1)39-27-31-41(32-28-39)43-19-7-11-23-47(43)55-49-25-13-9-21-45(49)53-51(55)35-36-52-54(53)46-22-10-14-26-50(46)56(52)48-24-12-8-20-44(48)42-33-29-40(30-34-42)38-17-5-2-6-18-38;3*1-2/h1-36H;3*1-2H3.
What are the key properties of 9,14-bis[2-(4-phenylphenyl)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;ethane?
9,14-bis[2-(4-phenylphenyl)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;ethane has a molecular weight of 803.11 g/mol, XLogP of 17.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14-bis[2-(4-phenylphenyl)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;ethane is sourced from PubChem (CID 177063693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).