N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine

C78H52F8N4 — CID 88891872

IUPACN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c(F)c(F)c(-c4c(F)c(F)c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(F)c4F)c(F)c3F)cc21
InChIInChI=1S/C78H52F8N4/c1-77(2)57-27-15-11-23-49(57)51-35-31-47(41-59(51)77)87(45-33-37-63-55(39-45)53-25-13-17-29-61(53)89(63)43-19-7-5-8-20-43)75-71(83)67(79)65(68(80)72(75)84)66-69(81)73(85)76(74(86)70(66)82)88(48-32-36-52-50-24-12-16-28-58(50)78(3,4)60(52)42-48)46-34-38-64-56(40-46)54-26-14-18-30-62(54)90(64)44-21-9-6-10-22-44/h5-15,17-27,29-42H,16,28H2,1-4H3
InChIKeyHTRICUCDLBVXGQ-UHFFFAOYSA-N
MW1197.29 g/mol
LogP22.30
Rot. Bonds9

About N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine

N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine (PubChem CID 88891872) has the molecular formula C78H52F8N4 and a molecular weight of 1197.29 g/mol. Its IUPAC name is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
PubChem CID88891872
Molecular FormulaC78H52F8N4
Molecular Weight1197.29 g/mol
Exact Mass1196.41
IUPAC NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c(F)c(F)c(-c4c(F)c(F)c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(F)c4F)c(F)c3F)cc21
InChIInChI=1S/C78H52F8N4/c1-77(2)57-27-15-11-23-49(57)51-35-31-47(41-59(51)77)87(45-33-37-63-55(39-45)53-25-13-17-29-61(53)89(63)43-19-7-5-8-20-43)75-71(83)67(79)65(68(80)72(75)84)66-69(81)73(85)76(74(86)70(66)82)88(48-32-36-52-50-24-12-16-28-58(50)78(3,4)60(52)42-48)46-34-38-64-56(40-46)54-26-14-18-30-62(54)90(64)44-21-9-6-10-22-44/h5-15,17-27,29-42H,16,28H2,1-4H3
InChIKeyHTRICUCDLBVXGQ-UHFFFAOYSA-N
XLogP22.30
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.29
LogP ≤ 522.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine
CID 138582687
10-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-N,5-N,10-N-tris(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
CID 89074369
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
N-[4-[5-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)phenyl]-2,6-bis(4-fluorophenyl)pyrrolo[2,3-f]indol-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 88882512
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
CID 166705704
2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
CID 89152690
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine (CID 88891872) is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c(F)c(F)c(-c4c(F)c(F)c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(F)c4F)c(F)c3F)cc21.
What is the InChIKey of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine?
The InChIKey is HTRICUCDLBVXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52F8N4/c1-77(2)57-27-15-11-23-49(57)51-35-31-47(41-59(51)77)87(45-33-37-63-55(39-45)53-25-13-17-29-61(53)89(63)43-19-7-5-8-20-43)75-71(83)67(79)65(68(80)72(75)84)66-69(81)73(85)76(74(86)70(66)82)88(48-32-36-52-50-24-12-16-28-58(50)78(3,4)60(52)42-48)46-34-38-64-56(40-46)54-26-14-18-30-62(54)90(64)44-21-9-6-10-22-44/h5-15,17-27,29-42H,16,28H2,1-4H3.
What are the key properties of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine has a molecular weight of 1197.29 g/mol, XLogP of 22.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 88891872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).