12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

C56H34N4 — CID 146554838

IUPAC12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc(-c2ccccc2-c2nc3c4ccccc4c4ccccc4c3nc2-n2c3ccccc3c3cc4c(cc32)c2c3ccccc3ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C56H34N4/c1-3-17-35(18-4-1)38-22-9-12-27-43(38)55-56(58-54-45-29-14-11-25-41(45)40-24-10-13-28-44(40)53(54)57-55)60-48-30-16-15-26-42(48)46-33-51-47(34-50(46)60)52-39-23-8-7-19-36(39)31-32-49(52)59(51)37-20-5-2-6-21-37/h1-34H
InChIKeyVPDZGGLMRXHGIQ-UHFFFAOYSA-N
MW762.92 g/mol
LogP14.62
Rot. Bonds4

About 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (PubChem CID 146554838) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
PubChem CID146554838
Molecular FormulaC56H34N4
Molecular Weight762.92 g/mol
Exact Mass762.28
IUPAC Name12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc(-c2ccccc2-c2nc3c4ccccc4c4ccccc4c3nc2-n2c3ccccc3c3cc4c(cc32)c2c3ccccc3ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C56H34N4/c1-3-17-35(18-4-1)38-22-9-12-27-43(38)55-56(58-54-45-29-14-11-25-41(45)40-24-10-13-28-44(40)53(54)57-55)60-48-30-16-15-26-42(48)46-33-51-47(34-50(46)60)52-39-23-8-7-19-36(39)31-32-49(52)59(51)37-20-5-2-6-21-37/h1-34H
InChIKeyVPDZGGLMRXHGIQ-UHFFFAOYSA-N
XLogP14.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.92
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene with MolForge

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Related Compounds

16-(3-naphthalen-1-ylphenyl)-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 174232921
9,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-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;12-phenyl-16-[3-(4-phenylphenyl)quinoxalin-2-yl]-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;12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)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 163789996
16-(4-naphthalen-1-ylphenyl)-12-(9-phenylcarbazol-2-yl)-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 164761193
10-benzo[b]carbazol-5-yl-7-[4-(2-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 161141967
12-phenyl-16-(3-phenylphenyl)-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 154589180
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)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 134222275
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
16-[3-(2-phenylphenyl)quinoxalin-2-yl]-12-oxa-16-azahexacyclo[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 155020559
12-(2,3-diphenylquinoxalin-5-yl)-16-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 154952711
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The IUPAC name of 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (CID 146554838) is 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.
What is the SMILES notation for 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The canonical SMILES for 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is c1ccc(-c2ccccc2-c2nc3c4ccccc4c4ccccc4c3nc2-n2c3ccccc3c3cc4c(cc32)c2c3ccccc3ccc2n4-c2ccccc2)cc1.
What is the InChIKey of 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The InChIKey is VPDZGGLMRXHGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-3-17-35(18-4-1)38-22-9-12-27-43(38)55-56(58-54-45-29-14-11-25-41(45)40-24-10-13-28-44(40)53(54)57-55)60-48-30-16-15-26-42(48)46-33-51-47(34-50(46)60)52-39-23-8-7-19-36(39)31-32-49(52)59(51)37-20-5-2-6-21-37/h1-34H.
What are the key properties of 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene has a molecular weight of 762.92 g/mol, XLogP of 14.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-22-[2-(2-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is sourced from PubChem (CID 146554838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).