6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

C48H28N4O — CID 155335799

IUPAC6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccc(-n7c8ccccc8c8ccccc87)cc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C48H28N4O/c1-2-14-29(15-3-1)45-35-20-6-10-22-38(35)49-48(50-45)52-41-25-13-9-21-36(41)43-33-18-4-5-19-34(33)44-37-27-26-30(28-42(37)53-47(44)46(43)52)51-39-23-11-7-16-31(39)32-17-8-12-24-40(32)51/h1-28H
InChIKeyCIOIKUPIBJVGPH-UHFFFAOYSA-N
MW676.78 g/mol
LogP12.54
Rot. Bonds3

About 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (PubChem CID 155335799) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
PubChem CID155335799
Molecular FormulaC48H28N4O
Molecular Weight676.78 g/mol
Exact Mass676.23
IUPAC Name6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccc(-n7c8ccccc8c8ccccc87)cc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C48H28N4O/c1-2-14-29(15-3-1)45-35-20-6-10-22-38(35)49-48(50-45)52-41-25-13-9-21-36(41)43-33-18-4-5-19-34(33)44-37-27-26-30(28-42(37)53-47(44)46(43)52)51-39-23-11-7-16-31(39)32-17-8-12-24-40(32)51/h1-28H
InChIKeyCIOIKUPIBJVGPH-UHFFFAOYSA-N
XLogP12.54
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

20-phenyl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129292575
24-(4-phenylquinazolin-2-yl)-3-oxa-13,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,14,18,20,22-undecaene
CID 134361385
12-[4-(3-phenylphenyl)quinazolin-2-yl]-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359241
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
10-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126679337
9-(4-dibenzofuran-2-ylquinazolin-2-yl)-28-phenyl-12-oxa-9,28-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,29.022,27]hentriaconta-1,3,5,7,10,13,15,17,19,21(29),22,24,26,30-tetradecaene
CID 146610254
24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122605193
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568797
15-phenyl-18-(4-phenylquinazolin-2-yl)-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 126679145
24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678232
18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680193

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The IUPAC name of 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (CID 155335799) is 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The canonical SMILES for 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccc(-n7c8ccccc8c8ccccc87)cc6oc5c43)nc3ccccc23)cc1.
What is the InChIKey of 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The InChIKey is CIOIKUPIBJVGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c1-2-14-29(15-3-1)45-35-20-6-10-22-38(35)49-48(50-45)52-41-25-13-9-21-36(41)43-33-18-4-5-19-34(33)44-37-27-26-30(28-42(37)53-47(44)46(43)52)51-39-23-11-7-16-31(39)32-17-8-12-24-40(32)51/h1-28H.
What are the key properties of 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene has a molecular weight of 676.78 g/mol, XLogP of 12.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 155335799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).