22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C50H32N4 — CID 129254725

IUPAC22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
SMILESc1ccc(-c2nc(-c3cccc(N4c5ccccc5-c5c(n(-c6ccc7ccccc7c6)c6ccccc56)-c5ccccc54)c3)nc3ccccc23)cc1
InChIInChI=1S/C50H32N4/c1-2-16-34(17-3-1)48-39-21-6-10-25-43(39)51-50(52-48)36-19-14-20-37(32-36)53-44-26-11-7-22-40(44)47-41-23-8-12-27-45(41)54(49(47)42-24-9-13-28-46(42)53)38-30-29-33-15-4-5-18-35(33)31-38/h1-32H
InChIKeyDTEOPJWBQNXFDA-UHFFFAOYSA-N
MW688.83 g/mol
LogP13.18
Rot. Bonds4

About 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 129254725) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

Compound Name22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
PubChem CID129254725
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
SMILESc1ccc(-c2nc(-c3cccc(N4c5ccccc5-c5c(n(-c6ccc7ccccc7c6)c6ccccc56)-c5ccccc54)c3)nc3ccccc23)cc1
InChIInChI=1S/C50H32N4/c1-2-16-34(17-3-1)48-39-21-6-10-25-43(39)51-50(52-48)36-19-14-20-37(32-36)53-44-26-11-7-22-40(44)47-41-23-8-12-27-45(41)54(49(47)42-24-9-13-28-46(42)53)38-30-29-33-15-4-5-18-35(33)31-38/h1-32H
InChIKeyDTEOPJWBQNXFDA-UHFFFAOYSA-N
XLogP13.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene with MolForge

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Related Compounds

8-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 118685472
22-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-[3-[4-[4-phenyl-6-[3-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]pyrimidin-2-yl]phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 166980103
22-naphthalen-2-yl-8-phenanthridin-6-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-naphthalen-1-ylphenyl)-8-[4-(9-phenylphenanthridin-6-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3-phenanthridin-6-ylphenyl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(3-phenanthridin-6-ylphenyl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 158556425
22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3,5-diphenylphenyl)-8-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 159696531
8-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 163903393
11-naphthalen-2-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 160949028
8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 161124224
8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 160645500
22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129254682
22-(9,9-dimethylfluoren-2-yl)-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 159749960
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 118181249
22-(3-naphthalen-2-ylphenyl)-8-quinolin-2-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-naphthalen-1-yl-8-quinolin-2-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-phenylphenyl)-8-quinolin-2-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 160811748

Frequently Asked Questions

What is the IUPAC name of 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
The IUPAC name of 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 129254725) is 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.
What is the SMILES notation for 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
The canonical SMILES for 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is c1ccc(-c2nc(-c3cccc(N4c5ccccc5-c5c(n(-c6ccc7ccccc7c6)c6ccccc56)-c5ccccc54)c3)nc3ccccc23)cc1.
What is the InChIKey of 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
The InChIKey is DTEOPJWBQNXFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-2-16-34(17-3-1)48-39-21-6-10-25-43(39)51-50(52-48)36-19-14-20-37(32-36)53-44-26-11-7-22-40(44)47-41-23-8-12-27-45(41)54(49(47)42-24-9-13-28-46(42)53)38-30-29-33-15-4-5-18-35(33)31-38/h1-32H.
What are the key properties of 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 688.83 g/mol, XLogP of 13.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 129254725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).