17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene

C44H26N4 — CID 130259302

IUPAC17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene

SMILESc1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)c4ccccc4n3)c2)cc1

InChIInChI=1S/C44H26N4/c1-2-13-27(14-3-1)28-15-12-16-29(25-28)43-45-36-21-8-4-19-32(36)44(46-43)48-38-23-10-6-18-31(38)35-26-34-30-17-5-9-22-37(30)47-39-24-11-7-20-33(39)40(41(34)47)42(35)48/h1-26H

InChIKeyZANAJHCFOMMCIC-UHFFFAOYSA-N

MW610.72 g/mol

LogP11.21

Rot. Bonds3

About 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene

17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene (PubChem CID 130259302) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene.

Molecular Properties

Compound Name	17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
PubChem CID	130259302
Molecular Formula	C44H26N4
Molecular Weight	610.72 g/mol
Exact Mass	610.22
IUPAC Name	17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
SMILES	c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)c4ccccc4n3)c2)cc1
InChI	InChI=1S/C44H26N4/c1-2-13-27(14-3-1)28-15-12-16-29(25-28)43-45-36-21-8-4-19-32(36)44(46-43)48-38-23-10-6-18-31(38)35-26-34-30-17-5-9-22-37(30)47-39-24-11-7-20-33(39)40(41(34)47)42(35)48/h1-26H
InChIKey	ZANAJHCFOMMCIC-UHFFFAOYSA-N
XLogP	11.21
TPSA	35.12 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	48
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?

The IUPAC name of 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene (CID 130259302) is 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene.

What is the SMILES notation for 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?

The canonical SMILES for 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene is c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)c4ccccc4n3)c2)cc1.

What is the InChIKey of 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?

The InChIKey is ZANAJHCFOMMCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-2-13-27(14-3-1)28-15-12-16-29(25-28)43-45-36-21-8-4-19-32(36)44(46-43)48-38-23-10-6-18-31(38)35-26-34-30-17-5-9-22-37(30)47-39-24-11-7-20-33(39)40(41(34)47)42(35)48/h1-26H.

What are the key properties of 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?

17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene has a molecular weight of 610.72 g/mol, XLogP of 11.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene is sourced from PubChem (CID 130259302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).