N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine

C106H72F6N4O2 — CID 90164118

IUPACN-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(OC(F)=C(F)F)cc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc(OC(F)=C(F)F)cc%10)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C106H72F6N4O2/c1-105(2)93-21-13-11-19-85(93)87-53-47-81(63-95(87)105)113(77-39-23-65(24-40-77)67-31-49-83(50-32-67)117-103(111)101(107)108)79-43-27-69(28-44-79)71-35-55-97-89(59-71)91-61-73(37-57-99(91)115(97)75-15-7-5-8-16-75)74-38-58-100-92(62-74)90-60-72(36-56-98(90)116(100)76-17-9-6-10-18-76)70-29-45-80(46-30-70)114(82-48-54-88-86-20-12-14-22-94(86)106(3,4)96(88)64-82)78-41-25-66(26-42-78)68-33-51-84(52-34-68)118-104(112)102(109)110/h5-64H,1-4H3
InChIKeyORZYECJCNGUHKA-UHFFFAOYSA-N
MW1547.76 g/mol
LogP30.60
Rot. Bonds17

About N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine

N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine (PubChem CID 90164118) has the molecular formula C106H72F6N4O2 and a molecular weight of 1547.76 g/mol. Its IUPAC name is N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine
PubChem CID90164118
Molecular FormulaC106H72F6N4O2
Molecular Weight1547.76 g/mol
Exact Mass1546.56
IUPAC NameN-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(OC(F)=C(F)F)cc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc(OC(F)=C(F)F)cc%10)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C106H72F6N4O2/c1-105(2)93-21-13-11-19-85(93)87-53-47-81(63-95(87)105)113(77-39-23-65(24-40-77)67-31-49-83(50-32-67)117-103(111)101(107)108)79-43-27-69(28-44-79)71-35-55-97-89(59-71)91-61-73(37-57-99(91)115(97)75-15-7-5-8-16-75)74-38-58-100-92(62-74)90-60-72(36-56-98(90)116(100)76-17-9-6-10-18-76)70-29-45-80(46-30-70)114(82-48-54-88-86-20-12-14-22-94(86)106(3,4)96(88)64-82)78-41-25-66(26-42-78)68-33-51-84(52-34-68)118-104(112)102(109)110/h5-64H,1-4H3
InChIKeyORZYECJCNGUHKA-UHFFFAOYSA-N
XLogP30.60
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001547.76
LogP ≤ 530.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

9-(4-Tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole
CID 53401213
9-Phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole
CID 59582224
7-(3,5-Diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole
CID 90164137
N,N-bis(4-fluorophenyl)-18-methylspiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(27),2,4,6,9,11,13,16,19,21,23-undecaene-15,9'-fluorene]-2'-amine
CID 90270032
5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine
CID 121357331
N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)carbazol-2-amine
CID 121357354
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546733
9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546736
7,7-Dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole
CID 123546009
5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile
CID 123578963
9-[2-[4-[2-(3,6-Dimethoxycarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
CID 124173938
9-[2-[2-(3,6-Dimethoxycarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
CID 124174030

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine (CID 90164118) is N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(OC(F)=C(F)F)cc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc(OC(F)=C(F)F)cc%10)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-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine?
The InChIKey is ORZYECJCNGUHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H72F6N4O2/c1-105(2)93-21-13-11-19-85(93)87-53-47-81(63-95(87)105)113(77-39-23-65(24-40-77)67-31-49-83(50-32-67)117-103(111)101(107)108)79-43-27-69(28-44-79)71-35-55-97-89(59-71)91-61-73(37-57-99(91)115(97)75-15-7-5-8-16-75)74-38-58-100-92(62-74)90-60-72(36-56-98(90)116(100)76-17-9-6-10-18-76)70-29-45-80(46-30-70)114(82-48-54-88-86-20-12-14-22-94(86)106(3,4)96(88)64-82)78-41-25-66(26-42-78)68-33-51-84(52-34-68)118-104(112)102(109)110/h5-64H,1-4H3.
What are the key properties of N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine?
N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine has a molecular weight of 1547.76 g/mol, XLogP of 30.60, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 90164118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).