N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene]

C111H77BrN4S2 — CID 159374775

IUPACN-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene]
SMILESBrc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.C.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc2c(c1)Sc1c(ccc3[nH]c4ccccc4c13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C55H36N2S.C31H19NS.C24H18BrN.CH4/c1-3-15-37(16-4-1)38-27-29-40(30-28-38)56(39-17-5-2-6-18-39)41-31-33-42(34-32-41)57-50-25-13-9-21-45(50)53-51(57)36-35-49-54(53)58-52-26-14-12-24-48(52)55(49)46-22-10-7-19-43(46)44-20-8-11-23-47(44)55;1-4-12-22-19(9-1)20-10-2-5-13-23(20)31(22)24-14-6-8-16-28(24)33-30-25(31)17-18-27-29(30)21-11-3-7-15-26(21)32-27;25-21-13-17-24(18-14-21)26(22-9-5-2-6-10-22)23-15-11-20(12-16-23)19-7-3-1-4-8-19;/h1-36H;1-18,32H;1-18H;1H4
InChIKeyLKECXIJYNAFSAG-UHFFFAOYSA-N
MW1610.90 g/mol
LogP31.12
Rot. Bonds9

About N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene]

N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene] (PubChem CID 159374775) has the molecular formula C111H77BrN4S2 and a molecular weight of 1610.90 g/mol. Its IUPAC name is N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene].

Molecular Properties

Compound NameN-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene]
PubChem CID159374775
Molecular FormulaC111H77BrN4S2
Molecular Weight1610.90 g/mol
Exact Mass1608.48
IUPAC NameN-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene]
SMILESBrc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.C.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc2c(c1)Sc1c(ccc3[nH]c4ccccc4c13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C55H36N2S.C31H19NS.C24H18BrN.CH4/c1-3-15-37(16-4-1)38-27-29-40(30-28-38)56(39-17-5-2-6-18-39)41-31-33-42(34-32-41)57-50-25-13-9-21-45(50)53-51(57)36-35-49-54(53)58-52-26-14-12-24-48(52)55(49)46-22-10-7-19-43(46)44-20-8-11-23-47(44)55;1-4-12-22-19(9-1)20-10-2-5-13-23(20)31(22)24-14-6-8-16-28(24)33-30-25(31)17-18-27-29(30)21-11-3-7-15-26(21)32-27;25-21-13-17-24(18-14-21)26(22-9-5-2-6-10-22)23-15-11-20(12-16-23)19-7-3-1-4-8-19;/h1-36H;1-18,32H;1-18H;1H4
InChIKeyLKECXIJYNAFSAG-UHFFFAOYSA-N
XLogP31.12
TPSA27.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001610.90
LogP ≤ 531.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene] with MolForge

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Related Compounds

2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline
CID 167118107
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518
9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
CID 138477473
CID 134551696
CID 134551696
9-phenyl-4-(5-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698376
N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine
CID 171418739
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine;N-(9H-fluoren-3-yl)-N-phenyl-9H-carbazol-3-amine
CID 158936176
N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 158244995
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine
CID 135140431
4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 165155468

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene]?
The IUPAC name of N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene] (CID 159374775) is N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene].
What is the SMILES notation for N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene]?
The canonical SMILES for N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene] is Brc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.C.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc2c(c1)Sc1c(ccc3[nH]c4ccccc4c13)C21c2ccccc2-c2ccccc21.
What is the InChIKey of N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene]?
The InChIKey is LKECXIJYNAFSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2S.C31H19NS.C24H18BrN.CH4/c1-3-15-37(16-4-1)38-27-29-40(30-28-38)56(39-17-5-2-6-18-39)41-31-33-42(34-32-41)57-50-25-13-9-21-45(50)53-51(57)36-35-49-54(53)58-52-26-14-12-24-48(52)55(49)46-22-10-7-19-43(46)44-20-8-11-23-47(44)55;1-4-12-22-19(9-1)20-10-2-5-13-23(20)31(22)24-14-6-8-16-28(24)33-30-25(31)17-18-27-29(30)21-11-3-7-15-26(21)32-27;25-21-13-17-24(18-14-21)26(22-9-5-2-6-10-22)23-15-11-20(12-16-23)19-7-3-1-4-8-19;/h1-36H;1-18,32H;1-18H;1H4.
What are the key properties of N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene]?
N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene] has a molecular weight of 1610.90 g/mol, XLogP of 31.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N,4-diphenylaniline;N,4-diphenyl-N-(4-spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;methane;spiro[5H-thiochromeno[3,2-c]carbazole-8,9'-fluorene] is sourced from PubChem (CID 159374775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).