14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C44H25N5O — CID 145067414

IUPAC14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5nc6ccccc6c6cc7c(cc56)oc5ccccc57)cc4c4cccnc43)nc3ccccc23)cc1
InChIInChI=1S/C44H25N5O/c1-2-11-26(12-3-1)41-31-15-5-8-18-37(31)47-44(48-41)49-38-21-20-27(23-33(38)30-16-10-22-45-43(30)49)42-35-25-40-34(29-14-6-9-19-39(29)50-40)24-32(35)28-13-4-7-17-36(28)46-42/h1-25H
InChIKeyKESWGKMJKNGZGF-UHFFFAOYSA-N
MW639.72 g/mol
LogP11.06
Rot. Bonds3

About 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 145067414) has the molecular formula C44H25N5O and a molecular weight of 639.72 g/mol. Its IUPAC name is 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID145067414
Molecular FormulaC44H25N5O
Molecular Weight639.72 g/mol
Exact Mass639.21
IUPAC Name14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5nc6ccccc6c6cc7c(cc56)oc5ccccc57)cc4c4cccnc43)nc3ccccc23)cc1
InChIInChI=1S/C44H25N5O/c1-2-11-26(12-3-1)41-31-15-5-8-18-37(31)47-44(48-41)49-38-21-20-27(23-33(38)30-16-10-22-45-43(30)49)42-35-25-40-34(29-14-6-9-19-39(29)50-40)24-32(35)28-13-4-7-17-36(28)46-42/h1-25H
InChIKeyKESWGKMJKNGZGF-UHFFFAOYSA-N
XLogP11.06
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.72
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Related Compounds

14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 145067338
15-phenyl-11-(4-phenylquinazolin-2-yl)-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 129141891
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 138639575
12-(4-dibenzofuran-2-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149691
4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline
CID 164779869
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
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
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135

Frequently Asked Questions

What is the IUPAC name of 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 145067414) is 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2nc(-n3c4ccc(-c5nc6ccccc6c6cc7c(cc56)oc5ccccc57)cc4c4cccnc43)nc3ccccc23)cc1.
What is the InChIKey of 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is KESWGKMJKNGZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5O/c1-2-11-26(12-3-1)41-31-15-5-8-18-37(31)47-44(48-41)49-38-21-20-27(23-33(38)30-16-10-22-45-43(30)49)42-35-25-40-34(29-14-6-9-19-39(29)50-40)24-32(35)28-13-4-7-17-36(28)46-42/h1-25H.
What are the key properties of 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 639.72 g/mol, XLogP of 11.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 145067414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).