5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C62H44N4 — CID 89125205

IUPAC5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESC=C1c2cc(-n3c4ccccc4c4ccccc43)cc3c2N2c4c1cc(-n1c5ccccc5c5ccccc51)cc4C(C)(C)c1cc(-n4c5ccccc5c5ccccc54)cc(c12)C3(C)C
InChIInChI=1S/C62H44N4/c1-36-46-30-37(63-52-24-12-6-18-40(52)41-19-7-13-25-53(41)63)32-48-58(46)66-59-47(36)31-38(64-54-26-14-8-20-42(54)43-21-9-15-27-55(43)64)33-49(59)62(4,5)51-35-39(34-50(60(51)66)61(48,2)3)65-56-28-16-10-22-44(56)45-23-11-17-29-57(45)65/h6-35H,1H2,2-5H3
InChIKeyQHGMSZUTYJVJRJ-UHFFFAOYSA-N
MW845.06 g/mol
LogP16.10
Rot. Bonds3

About 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 89125205) has the molecular formula C62H44N4 and a molecular weight of 845.06 g/mol. Its IUPAC name is 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID89125205
Molecular FormulaC62H44N4
Molecular Weight845.06 g/mol
Exact Mass844.36
IUPAC Name5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESC=C1c2cc(-n3c4ccccc4c4ccccc43)cc3c2N2c4c1cc(-n1c5ccccc5c5ccccc51)cc4C(C)(C)c1cc(-n4c5ccccc5c5ccccc54)cc(c12)C3(C)C
InChIInChI=1S/C62H44N4/c1-36-46-30-37(63-52-24-12-6-18-40(52)41-19-7-13-25-53(41)63)32-48-58(46)66-59-47(36)31-38(64-54-26-14-8-20-42(54)43-21-9-15-27-55(43)64)33-49(59)62(4,5)51-35-39(34-50(60(51)66)61(48,2)3)65-56-28-16-10-22-44(56)45-23-11-17-29-57(45)65/h6-35H,1H2,2-5H3
InChIKeyQHGMSZUTYJVJRJ-UHFFFAOYSA-N
XLogP16.10
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

5-carbazol-9-yl-14,14,22,22-tetramethyl-8-phenyl-1-aza-8-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
CID 155605529
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
CID 90278208
2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine
CID 137469791
9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole
CID 90164584
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707

Frequently Asked Questions

What is the IUPAC name of 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 89125205) is 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is C=C1c2cc(-n3c4ccccc4c4ccccc43)cc3c2N2c4c1cc(-n1c5ccccc5c5ccccc51)cc4C(C)(C)c1cc(-n4c5ccccc5c5ccccc54)cc(c12)C3(C)C.
What is the InChIKey of 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is QHGMSZUTYJVJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N4/c1-36-46-30-37(63-52-24-12-6-18-40(52)41-19-7-13-25-53(41)63)32-48-58(46)66-59-47(36)31-38(64-54-26-14-8-20-42(54)43-21-9-15-27-55(43)64)33-49(59)62(4,5)51-35-39(34-50(60(51)66)61(48,2)3)65-56-28-16-10-22-44(56)45-23-11-17-29-57(45)65/h6-35H,1H2,2-5H3.
What are the key properties of 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 845.06 g/mol, XLogP of 16.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17-tri(carbazol-9-yl)-8,8,14,14-tetramethyl-22-methylidene-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 89125205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).