7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole

C46H29N3S — CID 156564448

IUPAC7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3C2N=C(c3cccc4sc5cc6ccccc6cc5c34)c3ccccc3N2)cc1
InChIInChI=1S/C46H29N3S/c1-2-11-28(12-3-1)32-22-23-39-36(25-32)43-33-16-7-6-13-29(33)21-24-40(43)49(39)46-47-38-19-9-8-17-34(38)45(48-46)35-18-10-20-41-44(35)37-26-30-14-4-5-15-31(30)27-42(37)50-41/h1-27,46-47H
InChIKeyRAZYDJLPCANAAN-UHFFFAOYSA-N
MW655.83 g/mol
LogP12.56
Rot. Bonds3

About 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole

7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole (PubChem CID 156564448) has the molecular formula C46H29N3S and a molecular weight of 655.83 g/mol. Its IUPAC name is 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole
PubChem CID156564448
Molecular FormulaC46H29N3S
Molecular Weight655.83 g/mol
Exact Mass655.21
IUPAC Name7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3C2N=C(c3cccc4sc5cc6ccccc6cc5c34)c3ccccc3N2)cc1
InChIInChI=1S/C46H29N3S/c1-2-11-28(12-3-1)32-22-23-39-36(25-32)43-33-16-7-6-13-29(33)21-24-40(43)49(39)46-47-38-19-9-8-17-34(38)45(48-46)35-18-10-20-41-44(35)37-26-30-14-4-5-15-31(30)27-42(37)50-41/h1-27,46-47H
InChIKeyRAZYDJLPCANAAN-UHFFFAOYSA-N
XLogP12.56
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.83
LogP ≤ 512.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

12-[4-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166916053
1-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole
CID 176777531
15-phenyl-12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 168721281
2-[3-(4-naphthalen-2-ylphenyl)phenyl]-4-naphtho[2,3-b][1]benzothiol-1-yl-6-phenyl-1,3,5-triazine
CID 169053871
2-[3-[3-(3-naphtho[2,3-b][1]benzothiol-1-ylphenyl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 142294258
2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzothiol-1-yl-6-phenyl-1,3,5-triazine
CID 146980684
2-dibenzothiophen-1-yl-4-phenyl-6-[4-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-13-yl)phenyl]-1,3,5-triazine
CID 166845222
12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155450646
12-[3-(4-dibenzothiophen-3-yl-1,2-dihydroquinazolin-2-yl)phenyl]-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 118535684
12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 163718010
22-phenyl-28-(3-phenylphenyl)-14-thia-28-azaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19(24),20,22,25-tridecaene
CID 122595485
13-(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371687

Frequently Asked Questions

What is the IUPAC name of 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole?
The IUPAC name of 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole (CID 156564448) is 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole.
What is the SMILES notation for 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole?
The canonical SMILES for 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3C2N=C(c3cccc4sc5cc6ccccc6cc5c34)c3ccccc3N2)cc1.
What is the InChIKey of 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole?
The InChIKey is RAZYDJLPCANAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3S/c1-2-11-28(12-3-1)32-22-23-39-36(25-32)43-33-16-7-6-13-29(33)21-24-40(43)49(39)46-47-38-19-9-8-17-34(38)45(48-46)35-18-10-20-41-44(35)37-26-30-14-4-5-15-31(30)27-42(37)50-41/h1-27,46-47H.
What are the key properties of 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole?
7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole has a molecular weight of 655.83 g/mol, XLogP of 12.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole is sourced from PubChem (CID 156564448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).