11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C45H28N2 — CID 122524487

IUPAC11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C45H28N2/c1-4-14-30(15-5-1)41-42-35-23-12-18-29-19-13-24-36(40(29)35)43(42)44(31-16-6-2-7-17-31)46-45(41)32-26-27-39-37(28-32)34-22-10-11-25-38(34)47(39)33-20-8-3-9-21-33/h1-28H
InChIKeyOGGXNJCIRHJEQS-UHFFFAOYSA-N
MW596.73 g/mol
LogP11.98
Rot. Bonds4

About 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 122524487) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID122524487
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C45H28N2/c1-4-14-30(15-5-1)41-42-35-23-12-18-29-19-13-24-36(40(29)35)43(42)44(31-16-6-2-7-17-31)46-45(41)32-26-27-39-37(28-32)34-22-10-11-25-38(34)47(39)33-20-8-3-9-21-33/h1-28H
InChIKeyOGGXNJCIRHJEQS-UHFFFAOYSA-N
XLogP11.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[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

13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 159050294
14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466347
9-(3,5-diphenylphenyl)-3-[8-[9-(3,5-diphenylphenyl)carbazol-3-yl]naphthalen-1-yl]carbazole
CID 169016186
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole
CID 58988745
14-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 122466557
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
3-[10-(4,5-diphenylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333594
9-phenyl-3-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 146414179
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole
CID 58988845

Frequently Asked Questions

What is the IUPAC name of 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 122524487) is 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is OGGXNJCIRHJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-4-14-30(15-5-1)41-42-35-23-12-18-29-19-13-24-36(40(29)35)43(42)44(31-16-6-2-7-17-31)46-45(41)32-26-27-39-37(28-32)34-22-10-11-25-38(34)47(39)33-20-8-3-9-21-33/h1-28H.
What are the key properties of 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 596.73 g/mol, XLogP of 11.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 122524487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).