N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine

C106H78N4 — CID 90164114

IUPACN-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)CC5)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc%11c(c%10)CC%11)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C106H78N4/c1-105(2)97-21-13-11-19-89(97)91-53-51-87(65-99(91)105)107(83-43-31-69(32-44-83)75-29-25-67-23-27-73(67)59-75)85-47-35-71(36-48-85)77-39-55-101-93(61-77)95-63-79(41-57-103(95)109(101)81-15-7-5-8-16-81)80-42-58-104-96(64-80)94-62-78(40-56-102(94)110(104)82-17-9-6-10-18-82)72-37-49-86(50-38-72)108(84-45-33-70(34-46-84)76-30-26-68-24-28-74(68)60-76)88-52-54-92-90-20-12-14-22-98(90)106(3,4)100(92)66-88/h5-22,25-26,29-66H,23-24,27-28H2,1-4H3
InChIKeyHBHHATRNJAZBSL-UHFFFAOYSA-N
MW1407.82 g/mol
LogP27.97
Rot. Bonds13

About N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine

N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 90164114) has the molecular formula C106H78N4 and a molecular weight of 1407.82 g/mol. Its IUPAC name is N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID90164114
Molecular FormulaC106H78N4
Molecular Weight1407.82 g/mol
Exact Mass1406.62
IUPAC NameN-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)CC5)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc%11c(c%10)CC%11)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C106H78N4/c1-105(2)97-21-13-11-19-89(97)91-53-51-87(65-99(91)105)107(83-43-31-69(32-44-83)75-29-25-67-23-27-73(67)59-75)85-47-35-71(36-48-85)77-39-55-101-93(61-77)95-63-79(41-57-103(95)109(101)81-15-7-5-8-16-81)80-42-58-104-96(64-80)94-62-78(40-56-102(94)110(104)82-17-9-6-10-18-82)72-37-49-86(50-38-72)108(84-45-33-70(34-46-84)76-30-26-68-24-28-74(68)60-76)88-52-54-92-90-20-12-14-22-98(90)106(3,4)100(92)66-88/h5-22,25-26,29-66H,23-24,27-28H2,1-4H3
InChIKeyHBHHATRNJAZBSL-UHFFFAOYSA-N
XLogP27.97
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001407.82
LogP ≤ 527.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde
CID 90164145
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167334138
N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158167426
carbanide;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;molecular hydrogen;vanadium
CID 158521255
6-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylcarbazol-3-ol;ethane
CID 145348099
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 90164114) is N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)CC5)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc%11c(c%10)CC%11)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is HBHHATRNJAZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H78N4/c1-105(2)97-21-13-11-19-89(97)91-53-51-87(65-99(91)105)107(83-43-31-69(32-44-83)75-29-25-67-23-27-73(67)59-75)85-47-35-71(36-48-85)77-39-55-101-93(61-77)95-63-79(41-57-103(95)109(101)81-15-7-5-8-16-81)80-42-58-104-96(64-80)94-62-78(40-56-102(94)110(104)82-17-9-6-10-18-82)72-37-49-86(50-38-72)108(84-45-33-70(34-46-84)76-30-26-68-24-28-74(68)60-76)88-52-54-92-90-20-12-14-22-98(90)106(3,4)100(92)66-88/h5-22,25-26,29-66H,23-24,27-28H2,1-4H3.
What are the key properties of N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 1407.82 g/mol, XLogP of 27.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 90164114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).