14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene

C35H21N5 — CID 157316476

IUPAC14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
SMILESc1ccc2cc(-c3nc(-n4c5ccccc5c5cc6c(cc54)nc4ccccn46)nc4ccccc34)ccc2c1
InChIInChI=1S/C35H21N5/c1-2-10-23-19-24(17-16-22(23)9-1)34-26-12-3-5-13-28(26)37-35(38-34)40-30-14-6-4-11-25(30)27-20-32-29(21-31(27)40)36-33-15-7-8-18-39(32)33/h1-21H
InChIKeyBDQPTCOBXGJAQV-UHFFFAOYSA-N
MW511.59 g/mol
LogP8.35
Rot. Bonds2

About 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene

14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene (PubChem CID 157316476) has the molecular formula C35H21N5 and a molecular weight of 511.59 g/mol. Its IUPAC name is 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene.

Molecular Properties

Compound Name14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
PubChem CID157316476
Molecular FormulaC35H21N5
Molecular Weight511.59 g/mol
Exact Mass511.18
IUPAC Name14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
SMILESc1ccc2cc(-c3nc(-n4c5ccccc5c5cc6c(cc54)nc4ccccn46)nc4ccccc34)ccc2c1
InChIInChI=1S/C35H21N5/c1-2-10-23-19-24(17-16-22(23)9-1)34-26-12-3-5-13-28(26)37-35(38-34)40-30-14-6-4-11-25(30)27-20-32-29(21-31(27)40)36-33-15-7-8-18-39(32)33/h1-21H
InChIKeyBDQPTCOBXGJAQV-UHFFFAOYSA-N
XLogP8.35
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene with MolForge

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Related Compounds

20-phenyl-16-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),5,7,9,12,14(19),15,17-nonaene
CID 160951061
7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
CID 159935777
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242
22-(4-naphthalen-2-ylquinazolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212372
22-(4-naphthalen-2-ylquinazolin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597968
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole
CID 177109125
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-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 71109102
5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552532

Frequently Asked Questions

What is the IUPAC name of 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
The IUPAC name of 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene (CID 157316476) is 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene.
What is the SMILES notation for 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
The canonical SMILES for 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene is c1ccc2cc(-c3nc(-n4c5ccccc5c5cc6c(cc54)nc4ccccn46)nc4ccccc34)ccc2c1.
What is the InChIKey of 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
The InChIKey is BDQPTCOBXGJAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5/c1-2-10-23-19-24(17-16-22(23)9-1)34-26-12-3-5-13-28(26)37-35(38-34)40-30-14-6-4-11-25(30)27-20-32-29(21-31(27)40)36-33-15-7-8-18-39(32)33/h1-21H.
What are the key properties of 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene has a molecular weight of 511.59 g/mol, XLogP of 8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene is sourced from PubChem (CID 157316476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).