17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene

C44H28N4OS — CID 170219919

IUPAC17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5cccc7c5N6c5ccccc5O7)ccc43)Nc3ccccc32)cc1
InChIInChI=1S/C44H28N4OS/c1-2-11-27(12-3-1)42-31-14-4-6-15-33(31)45-44(46-42)48-34-16-7-5-13-30(34)32-25-28(21-23-35(32)48)29-22-24-37-41(26-29)50-40-20-10-19-39-43(40)47(37)36-17-8-9-18-38(36)49-39/h1-26,44-45H
InChIKeyNADMFYAWXYIZHV-UHFFFAOYSA-N
MW660.80 g/mol
LogP11.92
Rot. Bonds3

About 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene

17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene (PubChem CID 170219919) has the molecular formula C44H28N4OS and a molecular weight of 660.80 g/mol. Its IUPAC name is 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
PubChem CID170219919
Molecular FormulaC44H28N4OS
Molecular Weight660.80 g/mol
Exact Mass660.20
IUPAC Name17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5cccc7c5N6c5ccccc5O7)ccc43)Nc3ccccc32)cc1
InChIInChI=1S/C44H28N4OS/c1-2-11-27(12-3-1)42-31-14-4-6-15-33(31)45-44(46-42)48-34-16-7-5-13-30(34)32-25-28(21-23-35(32)48)29-22-24-37-41(26-29)50-40-20-10-19-39-43(40)47(37)36-17-8-9-18-38(36)49-39/h1-26,44-45H
InChIKeyNADMFYAWXYIZHV-UHFFFAOYSA-N
XLogP11.92
TPSA41.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.80
LogP ≤ 511.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene with MolForge

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Related Compounds

1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
CID 129312385
9,9-dimethyl-10-phenyl-2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]acridine;10-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenoxazine;10-phenyl-3-[9-phenyl-6-(10-phenylphenothiazin-3-yl)carbazol-3-yl]phenoxazine
CID 161400773
3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90076067
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 129289224
7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole
CID 156564448
3-(4,6-diphenyl-1,2-dihydroquinazolin-2-yl)-15,15-dimethyl-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 129295251
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
5-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-phenylphenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552129

Frequently Asked Questions

What is the IUPAC name of 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?
The IUPAC name of 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene (CID 170219919) is 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?
The canonical SMILES for 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene is c1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5cccc7c5N6c5ccccc5O7)ccc43)Nc3ccccc32)cc1.
What is the InChIKey of 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?
The InChIKey is NADMFYAWXYIZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4OS/c1-2-11-27(12-3-1)42-31-14-4-6-15-33(31)45-44(46-42)48-34-16-7-5-13-30(34)32-25-28(21-23-35(32)48)29-22-24-37-41(26-29)50-40-20-10-19-39-43(40)47(37)36-17-8-9-18-38(36)49-39/h1-26,44-45H.
What are the key properties of 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?
17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 660.80 g/mol, XLogP of 11.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 170219919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).