30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene

C48H28N2O — CID 118361078

IUPAC30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c7ccccc7c7cc8c(cc7c6cc54)oc4ccccc48)cc32)cc1
InChIInChI=1S/C48H28N2O/c1-2-12-29(13-3-1)49-43-19-9-6-16-33(43)35-23-22-30(24-45(35)49)50-44-20-10-7-17-34(44)41-25-37-31-14-4-5-15-32(31)38-26-42-36-18-8-11-21-47(36)51-48(42)28-40(38)39(37)27-46(41)50/h1-28H
InChIKeyDPQMEUKEFROXDB-UHFFFAOYSA-N
MW648.77 g/mol
LogP13.24
Rot. Bonds2

About 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene

30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene (PubChem CID 118361078) has the molecular formula C48H28N2O and a molecular weight of 648.77 g/mol. Its IUPAC name is 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene.

Molecular Properties

Compound Name30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene
PubChem CID118361078
Molecular FormulaC48H28N2O
Molecular Weight648.77 g/mol
Exact Mass648.22
IUPAC Name30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c7ccccc7c7cc8c(cc7c6cc54)oc4ccccc48)cc32)cc1
InChIInChI=1S/C48H28N2O/c1-2-12-29(13-3-1)49-43-19-9-6-16-33(43)35-23-22-30(24-45(35)49)50-44-20-10-7-17-34(44)41-25-37-31-14-4-5-15-32(31)38-26-42-36-18-8-11-21-47(36)51-48(42)28-40(38)39(37)27-46(41)50/h1-28H
InChIKeyDPQMEUKEFROXDB-UHFFFAOYSA-N
XLogP13.24
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene?
The IUPAC name of 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene (CID 118361078) is 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene.
What is the SMILES notation for 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene?
The canonical SMILES for 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c7ccccc7c7cc8c(cc7c6cc54)oc4ccccc48)cc32)cc1.
What is the InChIKey of 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene?
The InChIKey is DPQMEUKEFROXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O/c1-2-12-29(13-3-1)49-43-19-9-6-16-33(43)35-23-22-30(24-45(35)49)50-44-20-10-7-17-34(44)41-25-37-31-14-4-5-15-32(31)38-26-42-36-18-8-11-21-47(36)51-48(42)28-40(38)39(37)27-46(41)50/h1-28H.
What are the key properties of 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene?
30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene has a molecular weight of 648.77 g/mol, XLogP of 13.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 30-(9-phenylcarbazol-2-yl)-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),24,26,28-pentadecaene is sourced from PubChem (CID 118361078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).