2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C50H30N4 — CID 145413897

IUPAC2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4c3c2-c2nccnc2-4)cc1
InChIInChI=1S/C50H30N4/c1-5-13-42-38(9-1)39-10-2-6-14-43(39)53(42)34-23-17-31(18-24-34)36-27-21-33-22-28-37(48-46(33)47(36)49-50(48)52-30-29-51-49)32-19-25-35(26-20-32)54-44-15-7-3-11-40(44)41-12-4-8-16-45(41)54/h1-30H
InChIKeyZOINXHJKYDDIRB-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.81
Rot. Bonds4

About 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 145413897) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID145413897
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4c3c2-c2nccnc2-4)cc1
InChIInChI=1S/C50H30N4/c1-5-13-42-38(9-1)39-10-2-6-14-43(39)53(42)34-23-17-31(18-24-34)36-27-21-33-22-28-37(48-46(33)47(36)49-50(48)52-30-29-51-49)32-19-25-35(26-20-32)54-44-15-7-3-11-40(44)41-12-4-8-16-45(41)54/h1-30H
InChIKeyZOINXHJKYDDIRB-UHFFFAOYSA-N
XLogP12.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Related Compounds

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CID 135130279
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
CID 135130218
9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 58273614
9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]carbazole
CID 58273517
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
4,6-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413454
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 145413897) is 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4c3c2-c2nccnc2-4)cc1.
What is the InChIKey of 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is ZOINXHJKYDDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-5-13-42-38(9-1)39-10-2-6-14-43(39)53(42)34-23-17-31(18-24-34)36-27-21-33-22-28-37(48-46(33)47(36)49-50(48)52-30-29-51-49)32-19-25-35(26-20-32)54-44-15-7-3-11-40(44)41-12-4-8-16-45(41)54/h1-30H.
What are the key properties of 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 686.82 g/mol, XLogP of 12.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 145413897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).