15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C64H44N4 — CID 163901716

IUPAC15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)nc3cccc1c23
InChIInChI=1S/C64H44N4/c1-64(2)53-27-16-15-26-49(53)52-40-62(67-55-29-17-28-54(64)63(52)55)68-60-32-30-45(47-36-56(41-18-7-3-8-19-41)65-57(37-47)42-20-9-4-10-21-42)34-50(60)51-35-46(31-33-61(51)68)48-38-58(43-22-11-5-12-23-43)66-59(39-48)44-24-13-6-14-25-44/h3-40H,1-2H3
InChIKeyQKKRPLYDNGWANB-UHFFFAOYSA-N
MW869.08 g/mol
LogP16.43
Rot. Bonds7

About 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 163901716) has the molecular formula C64H44N4 and a molecular weight of 869.08 g/mol. Its IUPAC name is 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

Compound Name15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
PubChem CID163901716
Molecular FormulaC64H44N4
Molecular Weight869.08 g/mol
Exact Mass868.36
IUPAC Name15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)nc3cccc1c23
InChIInChI=1S/C64H44N4/c1-64(2)53-27-16-15-26-49(53)52-40-62(67-55-29-17-28-54(64)63(52)55)68-60-32-30-45(47-36-56(41-18-7-3-8-19-41)65-57(37-47)42-20-9-4-10-21-42)34-50(60)51-35-46(31-33-61(51)68)48-38-58(43-22-11-5-12-23-43)66-59(39-48)44-24-13-6-14-25-44/h3-40H,1-2H3
InChIKeyQKKRPLYDNGWANB-UHFFFAOYSA-N
XLogP16.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene with MolForge

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Related Compounds

8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163871905
3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325922
15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163590697
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole;9-(4,6-diphenyl-2-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 163711135
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 160723883
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325916
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 90307244
3,3-dimethyl-11-(4-naphthalen-2-yl-6-phenyl-2-pyridinyl)-11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 121322472
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 67678505

Frequently Asked Questions

What is the IUPAC name of 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The IUPAC name of 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 163901716) is 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.
What is the SMILES notation for 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The canonical SMILES for 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is CC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)nc3cccc1c23.
What is the InChIKey of 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The InChIKey is QKKRPLYDNGWANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4/c1-64(2)53-27-16-15-26-49(53)52-40-62(67-55-29-17-28-54(64)63(52)55)68-60-32-30-45(47-36-56(41-18-7-3-8-19-41)65-57(37-47)42-20-9-4-10-21-42)34-50(60)51-35-46(31-33-61(51)68)48-38-58(43-22-11-5-12-23-43)66-59(39-48)44-24-13-6-14-25-44/h3-40H,1-2H3.
What are the key properties of 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 869.08 g/mol, XLogP of 16.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 163901716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).