2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline

C57H42N2 — CID 121343863

IUPAC2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc3Nc3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C57H42N2/c1-57(2)51-24-11-9-22-48(51)56-47(23-14-25-52(56)57)49-36-42(29-33-53(49)58-44-20-13-19-41(35-44)39-17-7-4-8-18-39)43-30-34-55-50(37-43)46-21-10-12-26-54(46)59(55)45-31-27-40(28-32-45)38-15-5-3-6-16-38/h3-37,58H,1-2H3
InChIKeyJPAIAUKBBHNZKJ-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.50
Rot. Bonds7

About 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline

2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline (PubChem CID 121343863) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
PubChem CID121343863
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc3Nc3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C57H42N2/c1-57(2)51-24-11-9-22-48(51)56-47(23-14-25-52(56)57)49-36-42(29-33-53(49)58-44-20-13-19-41(35-44)39-17-7-4-8-18-39)43-30-34-55-50(37-43)46-21-10-12-26-54(46)59(55)45-31-27-40(28-32-45)38-15-5-3-6-16-38/h3-37,58H,1-2H3
InChIKeyJPAIAUKBBHNZKJ-UHFFFAOYSA-N
XLogP15.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
CID 162229730
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine
CID 135169249
3-[9-[9,9-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 177077225
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline (CID 121343863) is 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline is CC1(C)c2ccccc2-c2c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc3Nc3cccc(-c4ccccc4)c3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline?
The InChIKey is JPAIAUKBBHNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)51-24-11-9-22-48(51)56-47(23-14-25-52(56)57)49-36-42(29-33-53(49)58-44-20-13-19-41(35-44)39-17-7-4-8-18-39)43-30-34-55-50(37-43)46-21-10-12-26-54(46)59(55)45-31-27-40(28-32-45)38-15-5-3-6-16-38/h3-37,58H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline?
2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline has a molecular weight of 754.98 g/mol, XLogP of 15.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline is sourced from PubChem (CID 121343863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).