4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

C49H32N4 — CID 70884353

IUPAC4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
SMILESC1=Cc2c(c3ccccc3n2-c2cc(-c3ccc4c5ccccc5n5c6ccccc6nc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)CC1
InChIInChI=1S/C49H32N4/c1-11-23-47-36(13-1)35-26-25-31(29-41(35)49-50-42-18-6-12-24-48(42)53(47)49)32-27-33(51-43-19-7-2-14-37(43)38-15-3-8-20-44(38)51)30-34(28-32)52-45-21-9-4-16-39(45)40-17-5-10-22-46(40)52/h1-4,6-16,18-30H,5,17H2
InChIKeyKNHZIDRCABLOGY-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.46
Rot. Bonds3

About 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (PubChem CID 70884353) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
PubChem CID70884353
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
SMILESC1=Cc2c(c3ccccc3n2-c2cc(-c3ccc4c5ccccc5n5c6ccccc6nc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)CC1
InChIInChI=1S/C49H32N4/c1-11-23-47-36(13-1)35-26-25-31(29-41(35)49-50-42-18-6-12-24-48(42)53(47)49)32-27-33(51-43-19-7-2-14-37(43)38-15-3-8-20-44(38)51)30-34(28-32)52-45-21-9-4-16-39(45)40-17-5-10-22-46(40)52/h1-4,6-16,18-30H,5,17H2
InChIKeyKNHZIDRCABLOGY-UHFFFAOYSA-N
XLogP12.46
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 155393923
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146532365
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272

Frequently Asked Questions

What is the IUPAC name of 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The IUPAC name of 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (CID 70884353) is 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.
What is the SMILES notation for 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The canonical SMILES for 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is C1=Cc2c(c3ccccc3n2-c2cc(-c3ccc4c5ccccc5n5c6ccccc6nc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)CC1.
What is the InChIKey of 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The InChIKey is KNHZIDRCABLOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-11-23-47-36(13-1)35-26-25-31(29-41(35)49-50-42-18-6-12-24-48(42)53(47)49)32-27-33(51-43-19-7-2-14-37(43)38-15-3-8-20-44(38)51)30-34(28-32)52-45-21-9-4-16-39(45)40-17-5-10-22-46(40)52/h1-4,6-16,18-30H,5,17H2.
What are the key properties of 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene has a molecular weight of 676.82 g/mol, XLogP of 12.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is sourced from PubChem (CID 70884353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).