11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile

C204H149FN8 — CID 163473768

IUPAC11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3c21.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc(N(c2ccccc2)c2c(F)cc(-c4ccccc4)cc2-c2ccccc2)cc1C3(C)C.[C-]#[N+]c1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc(N(c2ccccc2)c2c(C#N)cc(-c4ccccc4)cc2-c2ccccc2)cc1C3(C)C
InChIInChI=1S/C69H48N4.C68H51FN2.C67H50N2/c1-69(2)64-45-58(72(55-30-18-8-19-31-55)67-54(46-70)40-52(47-22-10-4-11-23-47)42-62(67)49-26-14-6-15-27-49)36-39-60(64)61-37-34-51-41-57(35-38-59(51)66(61)69)73(56-32-20-9-21-33-56)68-63(50-28-16-7-17-29-50)43-53(44-65(68)71-3)48-24-12-5-13-25-48;1-46-40-52(47-22-10-4-11-23-47)42-61(49-26-14-6-15-27-49)66(46)70(54-30-18-8-19-31-54)56-35-38-58-51(41-56)34-37-60-59-39-36-57(45-63(59)68(2,3)65(58)60)71(55-32-20-9-21-33-55)67-62(50-28-16-7-17-29-50)43-53(44-64(67)69)48-24-12-5-13-25-48;1-67(2)65-46-61(69(58-36-27-53(28-37-58)49-19-11-5-12-20-49)59-38-29-54(30-39-59)50-21-13-6-14-22-50)41-44-63(65)64-42-31-55-45-60(40-43-62(55)66(64)67)68(56-32-23-51(24-33-56)47-15-7-3-8-16-47)57-34-25-52(26-35-57)48-17-9-4-10-18-48/h4-45H,1-2H3;4-45H,1-3H3;3-46H,1-2H3
InChIKeyBYSVPACCYZGJDK-UHFFFAOYSA-N
MW2731.49 g/mol
LogP57.13
Rot. Bonds30

About 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile

11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile (PubChem CID 163473768) has the molecular formula C204H149FN8 and a molecular weight of 2731.49 g/mol. Its IUPAC name is 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile.

Molecular Properties

Compound Name11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile
PubChem CID163473768
Molecular FormulaC204H149FN8
Molecular Weight2731.49 g/mol
Exact Mass2729.19
IUPAC Name11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3c21.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc(N(c2ccccc2)c2c(F)cc(-c4ccccc4)cc2-c2ccccc2)cc1C3(C)C.[C-]#[N+]c1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc(N(c2ccccc2)c2c(C#N)cc(-c4ccccc4)cc2-c2ccccc2)cc1C3(C)C
InChIInChI=1S/C69H48N4.C68H51FN2.C67H50N2/c1-69(2)64-45-58(72(55-30-18-8-19-31-55)67-54(46-70)40-52(47-22-10-4-11-23-47)42-62(67)49-26-14-6-15-27-49)36-39-60(64)61-37-34-51-41-57(35-38-59(51)66(61)69)73(56-32-20-9-21-33-56)68-63(50-28-16-7-17-29-50)43-53(44-65(68)71-3)48-24-12-5-13-25-48;1-46-40-52(47-22-10-4-11-23-47)42-61(49-26-14-6-15-27-49)66(46)70(54-30-18-8-19-31-54)56-35-38-58-51(41-56)34-37-60-59-39-36-57(45-63(59)68(2,3)65(58)60)71(55-32-20-9-21-33-55)67-62(50-28-16-7-17-29-50)43-53(44-64(67)69)48-24-12-5-13-25-48;1-67(2)65-46-61(69(58-36-27-53(28-37-58)49-19-11-5-12-20-49)59-38-29-54(30-39-59)50-21-13-6-14-22-50)41-44-63(65)64-42-31-55-45-60(40-43-62(55)66(64)67)68(56-32-23-51(24-33-56)47-15-7-3-8-16-47)57-34-25-52(26-35-57)48-17-9-4-10-18-48/h4-45H,1-2H3;4-45H,1-3H3;3-46H,1-2H3
InChIKeyBYSVPACCYZGJDK-UHFFFAOYSA-N
XLogP57.13
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002731.49
LogP ≤ 557.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile with MolForge

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Related Compounds

2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile
CID 166964836
2-(N-[8-(N-[2-[(3E)-hexa-1,3-dien-3-yl]-6-isocyano-4-phenylphenyl]anilino)-11,11-dimethylbenzo[b]fluoren-2-yl]anilino)-3,5-diphenylbenzonitrile
CID 164758482
2-(N-[9-(N-(2-cyanophenyl)-2-fluoro-4-naphthalen-2-ylanilino)-11,11-dimethylbenzo[a]fluoren-3-yl]-2-fluoro-4-phenylanilino)benzonitrile
CID 162712025
4-(2-fluoro-4,6-diphenyl-N-[3,3,19,19-tetramethyl-16-(N-phenylanilino)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaen-6-yl]anilino)benzonitrile
CID 122662759
2-(N-[2-(2-cyano-N-(2-fluoro-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]-2-fluoro-4,6-diphenylanilino)benzonitrile
CID 163713323
3-N,9-N-bis(2-fluoro-4-naphthalen-2-ylphenyl)-11,11-dimethyl-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;3-N,9-N-bis(2-fluorophenyl)-11,11-dimethyl-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;3-N,9-N-bis(2-isocyanophenyl)-11,11-dimethyl-3-N,9-N-bis(4-naphthalen-2-ylphenyl)benzo[a]fluorene-3,9-diamine;3-N,9-N-bis(2-isocyanophenyl)-11,11-dimethyl-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine
CID 163597322
2-(N-[9-(N-(2-cyanophenyl)-4-naphthalen-2-ylanilino)-11,11-dimethylbenzo[a]fluoren-3-yl]-4-naphthalen-2-ylanilino)benzonitrile
CID 166964855
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine
CID 160513135
9,9-dimethyl-N-(2-methyl-4-naphthalen-2-yl-6-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155221008
3-N,9-N-bis(2-isocyanophenyl)-11,11-dimethyl-3-N,9-N-bis(4-naphthalen-2-ylphenyl)benzo[a]fluorene-3,9-diamine
CID 162712338
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-[(E)-2-phenylethenyl]fluoren-2-yl]-4,6-dimethyl-N-[4-[(E)-2-phenylethenyl]phenyl]pyrimidin-2-amine;4-[N-[9,9-dimethyl-7-[(E)-2-phenylethenyl]fluoren-2-yl]-4-[(E)-2-phenylethenyl]anilino]benzonitrile;9,9-dimethyl-7-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(2-fluoro-4,6-diphenylphenyl)-6-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]naphthalen-2-amine
CID 162197339
16,16-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-amine
CID 164721855

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile?
The IUPAC name of 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile (CID 163473768) is 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile.
What is the SMILES notation for 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile?
The canonical SMILES for 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3c21.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc(N(c2ccccc2)c2c(F)cc(-c4ccccc4)cc2-c2ccccc2)cc1C3(C)C.[C-]#[N+]c1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc(N(c2ccccc2)c2c(C#N)cc(-c4ccccc4)cc2-c2ccccc2)cc1C3(C)C.
What is the InChIKey of 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile?
The InChIKey is BYSVPACCYZGJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N4.C68H51FN2.C67H50N2/c1-69(2)64-45-58(72(55-30-18-8-19-31-55)67-54(46-70)40-52(47-22-10-4-11-23-47)42-62(67)49-26-14-6-15-27-49)36-39-60(64)61-37-34-51-41-57(35-38-59(51)66(61)69)73(56-32-20-9-21-33-56)68-63(50-28-16-7-17-29-50)43-53(44-65(68)71-3)48-24-12-5-13-25-48;1-46-40-52(47-22-10-4-11-23-47)42-61(49-26-14-6-15-27-49)66(46)70(54-30-18-8-19-31-54)56-35-38-58-51(41-56)34-37-60-59-39-36-57(45-63(59)68(2,3)65(58)60)71(55-32-20-9-21-33-55)67-62(50-28-16-7-17-29-50)43-53(44-64(67)69)48-24-12-5-13-25-48;1-67(2)65-46-61(69(58-36-27-53(28-37-58)49-19-11-5-12-20-49)59-38-29-54(30-39-59)50-21-13-6-14-22-50)41-44-63(65)64-42-31-55-45-60(40-43-62(55)66(64)67)68(56-32-23-51(24-33-56)47-15-7-3-8-16-47)57-34-25-52(26-35-57)48-17-9-4-10-18-48/h4-45H,1-2H3;4-45H,1-3H3;3-46H,1-2H3.
What are the key properties of 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile?
11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile has a molecular weight of 2731.49 g/mol, XLogP of 57.13, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile is sourced from PubChem (CID 163473768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).