22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C58H36N2 — CID 121474785

IUPAC22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc4ccccc4c4c5ccccc5c5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H36N2/c1-3-17-38(18-4-1)58(39-19-5-2-6-20-39)50-28-14-11-23-43(50)48-36-54-49(35-51(48)58)44-24-13-16-30-53(44)60(54)40-33-31-37(32-34-40)57-56-46-26-10-8-22-42(46)41-21-7-9-25-45(41)55(56)47-27-12-15-29-52(47)59-57/h1-36H
InChIKeyNWPXSTAHPKNKRE-UHFFFAOYSA-N
MW760.94 g/mol
LogP14.82
Rot. Bonds4

About 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 121474785) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
PubChem CID121474785
Molecular FormulaC58H36N2
Molecular Weight760.94 g/mol
Exact Mass760.29
IUPAC Name22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc4ccccc4c4c5ccccc5c5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H36N2/c1-3-17-38(18-4-1)58(39-19-5-2-6-20-39)50-28-14-11-23-43(50)48-36-54-49(35-51(48)58)44-24-13-16-30-53(44)60(54)40-33-31-37(32-34-40)57-56-46-26-10-8-22-42(46)41-21-7-9-25-45(41)55(56)47-27-12-15-29-52(47)59-57/h1-36H
InChIKeyNWPXSTAHPKNKRE-UHFFFAOYSA-N
XLogP14.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene with MolForge

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Related Compounds

22-[4-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474810
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130393909
22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474855
9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 87412983
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,9-diphenyl-20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124167
23-[3-(21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaen-22-yl)phenyl]-10,10-diphenyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene
CID 121474753
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658

Frequently Asked Questions

What is the IUPAC name of 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The IUPAC name of 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 121474785) is 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
What is the SMILES notation for 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The canonical SMILES for 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc4ccccc4c4c5ccccc5c5ccccc5c34)cc2)cc1.
What is the InChIKey of 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The InChIKey is NWPXSTAHPKNKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2/c1-3-17-38(18-4-1)58(39-19-5-2-6-20-39)50-28-14-11-23-43(50)48-36-54-49(35-51(48)58)44-24-13-16-30-53(44)60(54)40-33-31-37(32-34-40)57-56-46-26-10-8-22-42(46)41-21-7-9-25-45(41)55(56)47-27-12-15-29-52(47)59-57/h1-36H.
What are the key properties of 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 760.94 g/mol, XLogP of 14.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 121474785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).