N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine

C82H55N3 — CID 169023083

IUPACN-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc4c5ccccc5n5c4c4c3C(c3ccc(-c6ccccc6)cc3)(c3ccccc3-c3ccccc3)c3cccc(c3-4)-c3ccccc3-5)cc21
InChIInChI=1S/C82H55N3/c1-81(2)68-36-15-10-30-60(68)61-48-47-58(50-71(61)81)83(56-27-21-28-57(49-56)84-72-39-17-11-31-62(72)63-32-12-18-40-73(63)84)76-51-67-65-34-14-20-42-75(65)85-74-41-19-13-33-64(74)66-35-22-38-70-77(66)78(80(67)85)79(76)82(70,55-45-43-53(44-46-55)52-23-5-3-6-24-52)69-37-16-9-29-59(69)54-25-7-4-8-26-54/h3-51H,1-2H3
InChIKeyXTRRGRJVLWZXHZ-UHFFFAOYSA-N
MW1082.36 g/mol
LogP21.33
Rot. Bonds8

About N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine

N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine (PubChem CID 169023083) has the molecular formula C82H55N3 and a molecular weight of 1082.36 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine
PubChem CID169023083
Molecular FormulaC82H55N3
Molecular Weight1082.36 g/mol
Exact Mass1081.44
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc4c5ccccc5n5c4c4c3C(c3ccc(-c6ccccc6)cc3)(c3ccccc3-c3ccccc3)c3cccc(c3-4)-c3ccccc3-5)cc21
InChIInChI=1S/C82H55N3/c1-81(2)68-36-15-10-30-60(68)61-48-47-58(50-71(61)81)83(56-27-21-28-57(49-56)84-72-39-17-11-31-62(72)63-32-12-18-40-73(63)84)76-51-67-65-34-14-20-42-75(65)85-74-41-19-13-33-64(74)66-35-22-38-70-77(66)78(80(67)85)79(76)82(70,55-45-43-53(44-46-55)52-23-5-3-6-24-52)69-37-16-9-29-59(69)54-25-7-4-8-26-54/h3-51H,1-2H3
InChIKeyXTRRGRJVLWZXHZ-UHFFFAOYSA-N
XLogP21.33
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.36
LogP ≤ 521.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine with MolForge

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Related Compounds

26,26-dimethyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine
CID 167224954
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 165066958
7-carbazol-9-yl-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 135193230
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(4-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline;9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 159415547
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2,6-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161037928
N,2-bis(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline;9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 159343941
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
CID 161348172
N-[2-(3-carbazol-9-ylphenyl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167293215
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112907
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 158465286
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
CID 157186226

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine (CID 169023083) is N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc4c5ccccc5n5c4c4c3C(c3ccc(-c6ccccc6)cc3)(c3ccccc3-c3ccccc3)c3cccc(c3-4)-c3ccccc3-5)cc21.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine?
The InChIKey is XTRRGRJVLWZXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H55N3/c1-81(2)68-36-15-10-30-60(68)61-48-47-58(50-71(61)81)83(56-27-21-28-57(49-56)84-72-39-17-11-31-62(72)63-32-12-18-40-73(63)84)76-51-67-65-34-14-20-42-75(65)85-74-41-19-13-33-64(74)66-35-22-38-70-77(66)78(80(67)85)79(76)82(70,55-45-43-53(44-46-55)52-23-5-3-6-24-52)69-37-16-9-29-59(69)54-25-7-4-8-26-54/h3-51H,1-2H3.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine?
N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine has a molecular weight of 1082.36 g/mol, XLogP of 21.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine is sourced from PubChem (CID 169023083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).