6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene

C43H31N5 — CID 90231195

IUPAC6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
SMILESc1ccc(-n2ccc3c4c5cc6ccccc6cc5n(C5Nc6ccccc6C(c6ccc(-c7ccccn7)cc6)N5)c4ccc32)cc1
InChIInChI=1S/C43H31N5/c1-2-12-32(13-3-1)47-25-23-34-38(47)21-22-39-41(34)35-26-30-10-4-5-11-31(30)27-40(35)48(39)43-45-37-16-7-6-14-33(37)42(46-43)29-19-17-28(18-20-29)36-15-8-9-24-44-36/h1-27,42-43,45-46H
InChIKeyZZCAATYQZZQMIE-UHFFFAOYSA-N
MW617.76 g/mol
LogP10.21
Rot. Bonds4

About 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene

6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene (PubChem CID 90231195) has the molecular formula C43H31N5 and a molecular weight of 617.76 g/mol. Its IUPAC name is 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene.

Molecular Properties

Compound Name6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
PubChem CID90231195
Molecular FormulaC43H31N5
Molecular Weight617.76 g/mol
Exact Mass617.26
IUPAC Name6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
SMILESc1ccc(-n2ccc3c4c5cc6ccccc6cc5n(C5Nc6ccccc6C(c6ccc(-c7ccccn7)cc6)N5)c4ccc32)cc1
InChIInChI=1S/C43H31N5/c1-2-12-32(13-3-1)47-25-23-34-38(47)21-22-39-41(34)35-26-30-10-4-5-11-31(30)27-40(35)48(39)43-45-37-16-7-6-14-33(37)42(46-43)29-19-17-28(18-20-29)36-15-8-9-24-44-36/h1-27,42-43,45-46H
InChIKeyZZCAATYQZZQMIE-UHFFFAOYSA-N
XLogP10.21
TPSA46.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.76
LogP ≤ 510.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene with MolForge

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Related Compounds

21-phenyl-24-(4-phenyl-1,2,3,4-tetrahydroquinazolin-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(23),19,21-undecaene
CID 145085116
3-phenyl-6-[3-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-[4-(4-pyrimidin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole
CID 158707289
10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 123851568
16-(4-cyclohexa-1,3-dien-1-yl-1,2,3,4-tetrahydroquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134400077
12-[4-(4-pyridin-2-ylphenyl)quinazolin-2-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 139362309
4-(4-pyridin-2-ylphenyl)-1,4-dihydroquinazoline
CID 90231130
3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole
CID 118317666
ethane;(2Z,4Z)-hexa-2,4-diene;20-phenyl-7-(4-pyridin-2-ylphenyl)-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene;prop-1-ene;1,2-xylene
CID 144645171
N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
CID 90060847
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
CID 118315266
6-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(2-pyridin-4-ylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
CID 123202086
10,19-diphenyl-23-(3-pyridin-2-ylphenyl)-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267588

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene?
The IUPAC name of 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene (CID 90231195) is 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene.
What is the SMILES notation for 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene?
The canonical SMILES for 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene is c1ccc(-n2ccc3c4c5cc6ccccc6cc5n(C5Nc6ccccc6C(c6ccc(-c7ccccn7)cc6)N5)c4ccc32)cc1.
What is the InChIKey of 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene?
The InChIKey is ZZCAATYQZZQMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5/c1-2-12-32(13-3-1)47-25-23-34-38(47)21-22-39-41(34)35-26-30-10-4-5-11-31(30)27-40(35)48(39)43-45-37-16-7-6-14-33(37)42(46-43)29-19-17-28(18-20-29)36-15-8-9-24-44-36/h1-27,42-43,45-46H.
What are the key properties of 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene?
6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene has a molecular weight of 617.76 g/mol, XLogP of 10.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene is sourced from PubChem (CID 90231195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).