21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene

C50H30N4O — CID 176627421

IUPAC21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c6c7cccc8c7n(c6n(-c6ccccc6)c5c4)-c4ccccc4O8)nc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C50H30N4O/c1-3-12-31(13-4-1)32-22-24-34(25-23-32)46-40-29-26-33-14-7-8-17-37(33)47(40)52-49(51-46)35-27-28-38-42(30-35)53(36-15-5-2-6-16-36)50-45(38)39-18-11-21-44-48(39)54(50)41-19-9-10-20-43(41)55-44/h1-30H
InChIKeyXHPAFCGWBZPIPO-UHFFFAOYSA-N
MW702.82 g/mol
LogP12.93
Rot. Bonds4

About 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene

21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene (PubChem CID 176627421) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene.

Molecular Properties

Compound Name21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
PubChem CID176627421
Molecular FormulaC50H30N4O
Molecular Weight702.82 g/mol
Exact Mass702.24
IUPAC Name21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c6c7cccc8c7n(c6n(-c6ccccc6)c5c4)-c4ccccc4O8)nc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C50H30N4O/c1-3-12-31(13-4-1)32-22-24-34(25-23-32)46-40-29-26-33-14-7-8-17-37(33)47(40)52-49(51-46)35-27-28-38-42(30-35)53(36-15-5-2-6-16-36)50-45(38)39-18-11-21-44-48(39)54(50)41-19-9-10-20-43(41)55-44/h1-30H
InChIKeyXHPAFCGWBZPIPO-UHFFFAOYSA-N
XLogP12.93
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene with MolForge

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Related Compounds

18-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
CID 176627401
21-phenyl-17-[4-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
CID 176627382
4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795179
2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
2-[3-[3-[3-[3-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzo[h]quinazoline
CID 122628732
2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402028
2-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121401965
4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795640
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
4-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline
CID 121401969
10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine
CID 140809392
14-(4-phenylphenyl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165955

Frequently Asked Questions

What is the IUPAC name of 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene?
The IUPAC name of 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene (CID 176627421) is 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene.
What is the SMILES notation for 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene?
The canonical SMILES for 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene is c1ccc(-c2ccc(-c3nc(-c4ccc5c6c7cccc8c7n(c6n(-c6ccccc6)c5c4)-c4ccccc4O8)nc4c3ccc3ccccc34)cc2)cc1.
What is the InChIKey of 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene?
The InChIKey is XHPAFCGWBZPIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-3-12-31(13-4-1)32-22-24-34(25-23-32)46-40-29-26-33-14-7-8-17-37(33)47(40)52-49(51-46)35-27-28-38-42(30-35)53(36-15-5-2-6-16-36)50-45(38)39-18-11-21-44-48(39)54(50)41-19-9-10-20-43(41)55-44/h1-30H.
What are the key properties of 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene?
21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene has a molecular weight of 702.82 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 21-phenyl-18-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-8-oxa-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene is sourced from PubChem (CID 176627421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).