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

C49H30N6 — CID 160951061

IUPAC20-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
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7nc8ccccn8c7cc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C49H30N6/c1-3-13-31(14-4-1)48-36-18-7-9-19-40(36)51-49(52-48)55-42-20-10-8-17-35(42)37-27-32(23-25-44(37)55)33-22-24-43-38(28-33)39-29-41-46(53-26-12-11-21-47(53)50-41)30-45(39)54(43)34-15-5-2-6-16-34/h1-30H
InChIKeySVTNMACPVYLXDN-UHFFFAOYSA-N
MW702.82 g/mol
LogP11.96
Rot. Bonds4

About 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

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 (PubChem CID 160951061) has the molecular formula C49H30N6 and a molecular weight of 702.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name20-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
PubChem CID160951061
Molecular FormulaC49H30N6
Molecular Weight702.82 g/mol
Exact Mass702.25
IUPAC Name20-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
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7nc8ccccn8c7cc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C49H30N6/c1-3-13-31(14-4-1)48-36-18-7-9-19-40(36)51-49(52-48)55-42-20-10-8-17-35(42)37-27-32(23-25-44(37)55)33-22-24-43-38(28-33)39-29-41-46(53-26-12-11-21-47(53)50-41)30-45(39)54(43)34-15-5-2-6-16-34/h1-30H
InChIKeySVTNMACPVYLXDN-UHFFFAOYSA-N
XLogP11.96
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
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
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
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
methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 159626577
1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole
CID 145257445

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7nc8ccccn8c7cc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is SVTNMACPVYLXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N6/c1-3-13-31(14-4-1)48-36-18-7-9-19-40(36)51-49(52-48)55-42-20-10-8-17-35(42)37-27-32(23-25-44(37)55)33-22-24-43-38(28-33)39-29-41-46(53-26-12-11-21-47(53)50-41)30-45(39)54(43)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 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?
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 has a molecular weight of 702.82 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160951061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).