30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene

C48H31NO — CID 118614794

IUPAC30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6ccccc6oc6ccccc6c6ccccc6c5cc43)c2)cc1
InChIInChI=1S/C48H31NO/c1-3-15-32(16-4-1)34-27-35(33-17-5-2-6-18-33)29-36(28-34)49-45-24-12-9-21-39(45)44-30-42-41-23-11-14-26-48(41)50-47-25-13-10-22-40(47)37-19-7-8-20-38(37)43(42)31-46(44)49/h1-31H
InChIKeyAFIVZRQLNYZKLQ-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.45
Rot. Bonds3

About 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene

30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene (PubChem CID 118614794) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene.

Molecular Properties

Compound Name30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene
PubChem CID118614794
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC Name30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6ccccc6oc6ccccc6c6ccccc6c5cc43)c2)cc1
InChIInChI=1S/C48H31NO/c1-3-15-32(16-4-1)34-27-35(33-17-5-2-6-18-33)29-36(28-34)49-45-24-12-9-21-39(45)44-30-42-41-23-11-14-26-48(41)50-47-25-13-10-22-40(47)37-19-7-8-20-38(37)43(42)31-46(44)49/h1-31H
InChIKeyAFIVZRQLNYZKLQ-UHFFFAOYSA-N
XLogP13.45
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene with MolForge

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Related Compounds

11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
10-dibenzofuran-3-yl-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324824
28-(4-carbazol-9-ylphenyl)-24-phenyl-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130294395
9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 155257341
5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 171414735
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene
CID 122465786
26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene
CID 118361069
9-[3-carbazol-9-yl-5-(4-dibenzofuran-3-ylphenyl)phenyl]carbazole;9-[4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 163688539
11-dibenzofuran-2-yl-5-[4-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 171414707
9-(3,5-diphenylphenyl)carbazole
CID 86068368
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612

Frequently Asked Questions

What is the IUPAC name of 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene?
The IUPAC name of 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene (CID 118614794) is 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene.
What is the SMILES notation for 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene?
The canonical SMILES for 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6ccccc6oc6ccccc6c6ccccc6c5cc43)c2)cc1.
What is the InChIKey of 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene?
The InChIKey is AFIVZRQLNYZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-3-15-32(16-4-1)34-27-35(33-17-5-2-6-18-33)29-36(28-34)49-45-24-12-9-21-39(45)44-30-42-41-23-11-14-26-48(41)50-47-25-13-10-22-40(47)37-19-7-8-20-38(37)43(42)31-46(44)49/h1-31H.
What are the key properties of 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene?
30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene has a molecular weight of 637.78 g/mol, XLogP of 13.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene is sourced from PubChem (CID 118614794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).