17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene

C48H31NO — CID 126589976

IUPAC17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4-c4ccccc4-6)cc3)c2)cc1
InChIInChI=1S/C48H31NO/c1-3-13-32(14-4-1)35-29-36(33-15-5-2-6-16-33)31-37(30-35)34-23-25-38(26-24-34)49-45-21-11-9-19-41(45)43-27-28-44-40-18-8-7-17-39(40)42-20-10-12-22-46(42)50-48(44)47(43)49/h1-31H
InChIKeyQSNYEZJOJGKBKM-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.22
Rot. Bonds4

About 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene

17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene (PubChem CID 126589976) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene.

Molecular Properties

Compound Name17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene
PubChem CID126589976
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC Name17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4-c4ccccc4-6)cc3)c2)cc1
InChIInChI=1S/C48H31NO/c1-3-13-32(14-4-1)35-29-36(33-15-5-2-6-16-33)31-37(30-35)34-23-25-38(26-24-34)49-45-21-11-9-19-41(45)43-27-28-44-40-18-8-7-17-39(40)42-20-10-12-22-46(42)50-48(44)47(43)49/h1-31H
InChIKeyQSNYEZJOJGKBKM-UHFFFAOYSA-N
XLogP13.22
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene with MolForge

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Related Compounds

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CID 118700467
11-[4-(3-carbazol-9-ylphenyl)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 164795576
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118441937
3-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 170039841
11-[4-(3-dibenzothiophen-1-ylcarbazol-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 164795265
N-[amino(phenyl)methylidene]-3-(14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaen-17-yl)benzenecarboximidamide
CID 144914923
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
12-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 129231062

Frequently Asked Questions

What is the IUPAC name of 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene?
The IUPAC name of 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene (CID 126589976) is 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene.
What is the SMILES notation for 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene?
The canonical SMILES for 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4-c4ccccc4-6)cc3)c2)cc1.
What is the InChIKey of 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene?
The InChIKey is QSNYEZJOJGKBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-3-13-32(14-4-1)35-29-36(33-15-5-2-6-16-33)31-37(30-35)34-23-25-38(26-24-34)49-45-21-11-9-19-41(45)43-27-28-44-40-18-8-7-17-39(40)42-20-10-12-22-46(42)50-48(44)47(43)49/h1-31H.
What are the key properties of 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene?
17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene has a molecular weight of 637.78 g/mol, XLogP of 13.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene is sourced from PubChem (CID 126589976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).