4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C92H56N6 — CID 122466276

IUPAC4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-c2ccc3c4c(cccc24)-c2nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c2-3)cc1
InChIInChI=1S/C92H56N6/c1-4-21-57(22-5-1)68-45-46-74-88-73(68)35-20-36-75(88)91-89(74)90(62-23-18-29-66(51-62)97-82-39-16-12-33-71(82)78-55-60(43-49-86(78)97)58-41-47-84-76(53-58)69-31-10-14-37-80(69)95(84)64-25-6-2-7-26-64)93-92(94-91)63-24-19-30-67(52-63)98-83-40-17-13-34-72(83)79-56-61(44-50-87(79)98)59-42-48-85-77(54-59)70-32-11-15-38-81(70)96(85)65-27-8-3-9-28-65/h1-56H
InChIKeyASKYKDFFIYMYLJ-UHFFFAOYSA-N
MW1245.50 g/mol
LogP24.00
Rot. Bonds9

About 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 122466276) has the molecular formula C92H56N6 and a molecular weight of 1245.50 g/mol. Its IUPAC name is 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID122466276
Molecular FormulaC92H56N6
Molecular Weight1245.50 g/mol
Exact Mass1244.46
IUPAC Name4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-c2ccc3c4c(cccc24)-c2nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c2-3)cc1
InChIInChI=1S/C92H56N6/c1-4-21-57(22-5-1)68-45-46-74-88-73(68)35-20-36-75(88)91-89(74)90(62-23-18-29-66(51-62)97-82-39-16-12-33-71(82)78-55-60(43-49-86(78)97)58-41-47-84-76(53-58)69-31-10-14-37-80(69)95(84)64-25-6-2-7-26-64)93-92(94-91)63-24-19-30-67(52-63)98-83-40-17-13-34-72(83)79-56-61(44-50-87(79)98)59-42-48-85-77(54-59)70-32-11-15-38-81(70)96(85)65-27-8-3-9-28-65/h1-56H
InChIKeyASKYKDFFIYMYLJ-UHFFFAOYSA-N
XLogP24.00
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.50
LogP ≤ 524.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 122466276) is 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1ccc(-c2ccc3c4c(cccc24)-c2nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c2-3)cc1.
What is the InChIKey of 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is ASKYKDFFIYMYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H56N6/c1-4-21-57(22-5-1)68-45-46-74-88-73(68)35-20-36-75(88)91-89(74)90(62-23-18-29-66(51-62)97-82-39-16-12-33-71(82)78-55-60(43-49-86(78)97)58-41-47-84-76(53-58)69-31-10-14-37-80(69)95(84)64-25-6-2-7-26-64)93-92(94-91)63-24-19-30-67(52-63)98-83-40-17-13-34-72(83)79-56-61(44-50-87(79)98)59-42-48-85-77(54-59)70-32-11-15-38-81(70)96(85)65-27-8-3-9-28-65/h1-56H.
What are the key properties of 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 1245.50 g/mol, XLogP of 24.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-12,14-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 122466276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).