19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene

C48H28N4O — CID 135280177

IUPAC19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c7c5cccc7c5cccc7oc8ccccc8n6-c75)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C48H28N4O/c1-2-12-29(13-3-1)46-36-15-4-6-19-38(36)49-48(50-46)52-39-20-7-5-14-32(39)37-28-30(24-26-40(37)52)31-25-27-42-45-33(31)16-10-17-34(45)35-18-11-23-44-47(35)51(42)41-21-8-9-22-43(41)53-44/h1-28H
InChIKeyRLUYRMHOLCHORT-UHFFFAOYSA-N
MW676.78 g/mol
LogP12.50
Rot. Bonds3

About 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene

19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene (PubChem CID 135280177) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene.

Molecular Properties

Compound Name19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene
PubChem CID135280177
Molecular FormulaC48H28N4O
Molecular Weight676.78 g/mol
Exact Mass676.23
IUPAC Name19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c7c5cccc7c5cccc7oc8ccccc8n6-c75)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C48H28N4O/c1-2-12-29(13-3-1)46-36-15-4-6-19-38(36)49-48(50-46)52-39-20-7-5-14-32(39)37-28-30(24-26-40(37)52)31-25-27-42-45-33(31)16-10-17-34(45)35-18-11-23-44-47(35)51(42)41-21-8-9-22-43(41)53-44/h1-28H
InChIKeyRLUYRMHOLCHORT-UHFFFAOYSA-N
XLogP12.50
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 ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene with MolForge

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Related Compounds

3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-15-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 154595778
23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene
CID 164840647
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 134237440
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene
CID 135280157
2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539192
3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 155485509
18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
15-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4-phenylquinazolin-2-yl)-4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 160706479

Frequently Asked Questions

What is the IUPAC name of 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene?
The IUPAC name of 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene (CID 135280177) is 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene.
What is the SMILES notation for 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene?
The canonical SMILES for 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c7c5cccc7c5cccc7oc8ccccc8n6-c75)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene?
The InChIKey is RLUYRMHOLCHORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c1-2-12-29(13-3-1)46-36-15-4-6-19-38(36)49-48(50-46)52-39-20-7-5-14-32(39)37-28-30(24-26-40(37)52)31-25-27-42-45-33(31)16-10-17-34(45)35-18-11-23-44-47(35)51(42)41-21-8-9-22-43(41)53-44/h1-28H.
What are the key properties of 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene?
19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene has a molecular weight of 676.78 g/mol, XLogP of 12.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene is sourced from PubChem (CID 135280177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).