5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C51H35NO2 — CID 163827859

IUPAC5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2cccc(C(Cc3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)Cc3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C51H35NO2/c1-3-12-34(13-4-1)37-17-9-18-38(29-37)40(30-39-16-7-8-19-42(39)36-14-5-2-6-15-36)28-33-24-26-35(27-25-33)41-31-44-43-20-10-21-45-49(43)52-50(44)48(32-41)54-47-23-11-22-46(53-45)51(47)52/h1-27,29,31-32,40H,28,30H2
InChIKeyNFKUDHKODPABCL-UHFFFAOYSA-N
MW693.85 g/mol
LogP13.57
Rot. Bonds8

About 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 163827859) has the molecular formula C51H35NO2 and a molecular weight of 693.85 g/mol. Its IUPAC name is 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID163827859
Molecular FormulaC51H35NO2
Molecular Weight693.85 g/mol
Exact Mass693.27
IUPAC Name5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2cccc(C(Cc3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)Cc3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C51H35NO2/c1-3-12-34(13-4-1)37-17-9-18-38(29-37)40(30-39-16-7-8-19-42(39)36-14-5-2-6-15-36)28-33-24-26-35(27-25-33)41-31-44-43-20-10-21-45-49(43)52-50(44)48(32-41)54-47-23-11-22-46(53-45)51(47)52/h1-27,29,31-32,40H,28,30H2
InChIKeyNFKUDHKODPABCL-UHFFFAOYSA-N
XLogP13.57
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.85
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 177106443
N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 162486886
6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162486868
N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 162486877
18-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795476
2-[3-dibenzothiophen-2-yl-5-[4-[1-(4-dibenzothiophen-4-ylphenyl)-3-phenylpropan-2-yl]phenyl]phenyl]dibenzothiophene
CID 163477743
5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 138612489
3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170134575
N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 163517701
5-[3-[3-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67967957
5-[3-[3-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67967954
5-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795199

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 163827859) is 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc(-c2cccc(C(Cc3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)Cc3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is NFKUDHKODPABCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO2/c1-3-12-34(13-4-1)37-17-9-18-38(29-37)40(30-39-16-7-8-19-42(39)36-14-5-2-6-15-36)28-33-24-26-35(27-25-33)41-31-44-43-20-10-21-45-49(43)52-50(44)48(32-41)54-47-23-11-22-46(53-45)51(47)52/h1-27,29,31-32,40H,28,30H2.
What are the key properties of 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 693.85 g/mol, XLogP of 13.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 163827859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).