13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

C49H28N6O — CID 140939494

IUPAC13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESc1ccc2c(c1)nc1c3cnc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3oc4cccnc4c3n21
InChIInChI=1S/C49H28N6O/c1-6-17-40-32(12-1)33-13-2-7-18-41(33)53(40)30-24-29(25-31(26-30)54-42-19-8-3-14-34(42)35-15-4-9-20-43(35)54)39-27-36-37(28-51-39)49-52-38-16-5-10-21-44(38)55(49)47-46-45(56-48(36)47)22-11-23-50-46/h1-28H
InChIKeyNBQOGCOQRFUMPP-UHFFFAOYSA-N
MW716.80 g/mol
LogP12.19
Rot. Bonds3

About 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (PubChem CID 140939494) has the molecular formula C49H28N6O and a molecular weight of 716.80 g/mol. Its IUPAC name is 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
PubChem CID140939494
Molecular FormulaC49H28N6O
Molecular Weight716.80 g/mol
Exact Mass716.23
IUPAC Name13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESc1ccc2c(c1)nc1c3cnc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3oc4cccnc4c3n21
InChIInChI=1S/C49H28N6O/c1-6-17-40-32(12-1)33-13-2-7-18-41(33)53(40)30-24-29(25-31(26-30)54-42-19-8-3-14-34(42)35-15-4-9-20-43(35)54)39-27-36-37(28-51-39)49-52-38-16-5-10-21-44(38)55(49)47-46-45(56-48(36)47)22-11-23-50-46/h1-28H
InChIKeyNBQOGCOQRFUMPP-UHFFFAOYSA-N
XLogP12.19
TPSA66.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.80
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene with MolForge

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Related Compounds

2-[2-(3-Methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,3-benzoxazole
CID 68103909
4-[2-(4-Fluorophenyl)-4-[5-[2-(4-fluorophenyl)quinazolin-4-yl]-2-pyridinyl]quinazolin-7-yl]-[1]benzofuro[3,2-b]pyridine
CID 167146266
2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 168838860
6-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-2-methyl-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)
CID 176642423
9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)
CID 176642475
1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
CID 176642528
1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
CID 176642817
9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)
CID 176643045
2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)
CID 176643136
2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)
CID 176643308
2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)
CID 176643383
1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
CID 176643413

Frequently Asked Questions

What is the IUPAC name of 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The IUPAC name of 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (CID 140939494) is 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.
What is the SMILES notation for 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The canonical SMILES for 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is c1ccc2c(c1)nc1c3cnc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3oc4cccnc4c3n21.
What is the InChIKey of 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The InChIKey is NBQOGCOQRFUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N6O/c1-6-17-40-32(12-1)33-13-2-7-18-41(33)53(40)30-24-29(25-31(26-30)54-42-19-8-3-14-34(42)35-15-4-9-20-43(35)54)39-27-36-37(28-51-39)49-52-38-16-5-10-21-44(38)55(49)47-46-45(56-48(36)47)22-11-23-50-46/h1-28H.
What are the key properties of 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene has a molecular weight of 716.80 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[3,5-di(carbazol-9-yl)phenyl]-9-oxa-1,4,14,18-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 140939494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).