24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 — IUPAC name, SMILES, InChIKey & properties

Name: 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 (PubChem CID 158824357) has the molecular formula C92H54N6S2 and a molecular weight of 1307.62 g/mol. Its IUPAC name is 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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.

Molecular Properties

Compound Name	24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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
PubChem CID	158824357
Molecular Formula	C92H54N6S2
Molecular Weight	1307.62 g/mol
Exact Mass	1306.39
IUPAC Name	24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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
SMILES	c1ccc2c(-c3nc(-c4ccc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)cc4)nc4ccccc34)cccc2c1.c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)cc4)nc4ccccc34)ccc2c1
InChI	InChI=1S/2C46H27N3S/c1-2-14-31-28(12-1)13-11-20-34(31)43-35-17-5-8-21-38(35)47-46(48-43)29-24-26-30(27-25-29)49-39-22-9-6-18-36(39)41-32-15-3-4-16-33(32)42-37-19-7-10-23-40(37)50-45(42)44(41)49;1-2-12-30-27-31(22-21-28(30)11-1)43-35-15-5-8-18-38(35)47-46(48-43)29-23-25-32(26-24-29)49-39-19-9-6-16-36(39)41-33-13-3-4-14-34(33)42-37-17-7-10-20-40(37)50-45(42)44(41)49/h2*1-27H
InChIKey	IWGQZNWZPDNYCM-UHFFFAOYSA-N
XLogP	25.47
TPSA	61.42 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	100
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1307.62
LogP ≤ 5	25.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Analyze 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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?

The IUPAC name of 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 (CID 158824357) is 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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.

What is the SMILES notation for 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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?

The canonical SMILES for 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 is c1ccc2c(-c3nc(-c4ccc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)cc4)nc4ccccc34)cccc2c1.c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)cc4)nc4ccccc34)ccc2c1.

What is the InChIKey of 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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?

The InChIKey is IWGQZNWZPDNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H27N3S/c1-2-14-31-28(12-1)13-11-20-34(31)43-35-17-5-8-21-38(35)47-46(48-43)29-24-26-30(27-25-29)49-39-22-9-6-18-36(39)41-32-15-3-4-16-33(32)42-37-19-7-10-23-40(37)50-45(42)44(41)49;1-2-12-30-27-31(22-21-28(30)11-1)43-35-15-5-8-18-38(35)47-46(48-43)29-23-25-32(26-24-29)49-39-19-9-6-16-36(39)41-33-13-3-4-14-34(33)42-37-17-7-10-20-40(37)50-45(42)44(41)49/h2*1-27H.

What are the key properties of 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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?

Where does this data come from?

All data for 24-[4-(4-naphthalen-1-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 is sourced from PubChem (CID 158824357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).