10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine

C48H28N4OS — CID 146369098

IUPAC10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc(-c4nc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C48H28N4OS/c1-2-14-30(15-3-1)51-38-23-11-12-24-40(38)53-41-28-29(26-27-39(41)51)47-49-36-21-9-6-18-33(36)48(50-47)52-37-22-10-7-19-34(37)43-31-16-4-5-17-32(31)44-35-20-8-13-25-42(35)54-46(44)45(43)52/h1-28H
InChIKeyOKVNMQSCJNCKRR-UHFFFAOYSA-N
MW708.85 g/mol
LogP13.49
Rot. Bonds3

About 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine

10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine (PubChem CID 146369098) has the molecular formula C48H28N4OS and a molecular weight of 708.85 g/mol. Its IUPAC name is 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine
PubChem CID146369098
Molecular FormulaC48H28N4OS
Molecular Weight708.85 g/mol
Exact Mass708.20
IUPAC Name10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc(-c4nc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C48H28N4OS/c1-2-14-30(15-3-1)51-38-23-11-12-24-40(38)53-41-28-29(26-27-39(41)51)47-49-36-21-9-6-18-33(36)48(50-47)52-37-22-10-7-19-34(37)43-31-16-4-5-17-32(31)44-35-20-8-13-25-42(35)54-46(44)45(43)52/h1-28H
InChIKeyOKVNMQSCJNCKRR-UHFFFAOYSA-N
XLogP13.49
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.85
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine with MolForge

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Related Compounds

10-phenyl-2-[4-(3-thia-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-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenoxazine
CID 130222735
12-[2-(3-phenylphenyl)quinazolin-4-yl]-9-thia-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 134359133
24-(2-phenylquinazolin-4-yl)-9-thia-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836810
9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 144696848
24-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-3-thia-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 152931087
3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
CID 134475859
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-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;hydride
CID 161034662
2-naphthalen-2-yl-4-(3-thia-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-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 130222143
2-phenyl-4-(3-thia-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-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 130222377
24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-thia-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;24-(4,6-diphenylpyrimidin-2-yl)-3-thia-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;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-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 159462123
24-[3-(3-phenylphenyl)phenyl]-3-thia-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 155793719
24-[2-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]-3-thia-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 130222633

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine?
The IUPAC name of 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine (CID 146369098) is 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine?
The canonical SMILES for 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine is c1ccc(N2c3ccccc3Oc3cc(-c4nc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)c5ccccc5n4)ccc32)cc1.
What is the InChIKey of 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine?
The InChIKey is OKVNMQSCJNCKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4OS/c1-2-14-30(15-3-1)51-38-23-11-12-24-40(38)53-41-28-29(26-27-39(41)51)47-49-36-21-9-6-18-33(36)48(50-47)52-37-22-10-7-19-34(37)43-31-16-4-5-17-32(31)44-35-20-8-13-25-42(35)54-46(44)45(43)52/h1-28H.
What are the key properties of 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine?
10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine has a molecular weight of 708.85 g/mol, XLogP of 13.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[4-(3-thia-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-undecaen-24-yl)quinazolin-2-yl]phenoxazine is sourced from PubChem (CID 146369098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).