8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene

C54H32N2O2 — CID 71241861

IUPAC8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4oc5cc6c(cc5n3c42)oc2cc(-c3ccccc3)cc3c4cc(-c5ccccc5)ccc4n6c23)cc1
InChIInChI=1S/C54H32N2O2/c1-5-13-33(14-6-1)37-21-23-45-41(25-37)43-27-39(35-17-9-3-10-18-35)29-51-53(43)55(45)47-31-50-48(32-49(47)57-51)56-46-24-22-38(34-15-7-2-8-16-34)26-42(46)44-28-40(30-52(58-50)54(44)56)36-19-11-4-12-20-36/h1-32H
InChIKeyCKYQJIXHTDZIKR-UHFFFAOYSA-N
MW740.86 g/mol
LogP14.97
Rot. Bonds4

About 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene

8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene (PubChem CID 71241861) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene.

Molecular Properties

Compound Name8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene
PubChem CID71241861
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4oc5cc6c(cc5n3c42)oc2cc(-c3ccccc3)cc3c4cc(-c5ccccc5)ccc4n6c23)cc1
InChIInChI=1S/C54H32N2O2/c1-5-13-33(14-6-1)37-21-23-45-41(25-37)43-27-39(35-17-9-3-10-18-35)29-51-53(43)55(45)47-31-50-48(32-49(47)57-51)56-46-24-22-38(34-15-7-2-8-16-34)26-42(46)44-28-40(30-52(58-50)54(44)56)36-19-11-4-12-20-36/h1-32H
InChIKeyCKYQJIXHTDZIKR-UHFFFAOYSA-N
XLogP14.97
TPSA35.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene with MolForge

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Related Compounds

Chrestfoline C
CID 375157
9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
CID 132919020
5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
CID 14138123
1-methoxy-9-(1-methoxy-9H-carbazol-3-yl)-3-methylcarbazole
CID 14634645
11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole
CID 14634648
5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
CID 177381779
(3R)-5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
CID 102058938
(3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
CID 102058942
(1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
CID 163031712
(1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
CID 163076406
(1R)-1-(1-methoxy-3-methyl-9H-carbazol-4-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
CID 163187471
(1R)-1-(8-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
CID 163188121

Frequently Asked Questions

What is the IUPAC name of 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene?
The IUPAC name of 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene (CID 71241861) is 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene.
What is the SMILES notation for 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene?
The canonical SMILES for 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4oc5cc6c(cc5n3c42)oc2cc(-c3ccccc3)cc3c4cc(-c5ccccc5)ccc4n6c23)cc1.
What is the InChIKey of 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene?
The InChIKey is CKYQJIXHTDZIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-5-13-33(14-6-1)37-21-23-45-41(25-37)43-27-39(35-17-9-3-10-18-35)29-51-53(43)55(45)47-31-50-48(32-49(47)57-51)56-46-24-22-38(34-15-7-2-8-16-34)26-42(46)44-28-40(30-52(58-50)54(44)56)36-19-11-4-12-20-36/h1-32H.
What are the key properties of 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene?
8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene has a molecular weight of 740.86 g/mol, XLogP of 14.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13,24,29-tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene is sourced from PubChem (CID 71241861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).