3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine

C136H120Br3N7O9 — CID 158363606

IUPAC3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine
SMILESBrc1ccc2[nH]c3ccccc3c2c1.C=Cc1ccc(-c2ccc(Br)cc2)cc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(=O)n1c2ccccc2c2cc(Br)ccc21.CC(C)(C)OC(=O)n1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4[nH]c5ccccc5c4c3)cc2)cc1.c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C35H30N2O2.C30H22N2.C18H15N.C17H16BrNO2.C14H11Br.C12H8BrN.C10H18O5/c1-35(2,3)39-34(38)37-32-17-11-10-16-30(32)31-24-29(22-23-33(31)37)36(27-14-8-5-9-15-27)28-20-18-26(19-21-28)25-12-6-4-7-13-25;1-3-9-22(10-4-1)23-15-17-25(18-16-23)32(24-11-5-2-6-12-24)26-19-20-30-28(21-26)27-13-7-8-14-29(27)31-30;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17;1-17(2,3)21-16(20)19-14-7-5-4-6-12(14)13-10-11(18)8-9-15(13)19;1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h4-24H,1-3H3;1-21,31H;1-14,19H;4-10H,1-3H3;2-10H,1H2;1-7,14H;1-6H3
InChIKeyGTTLFUKPJXSNBF-UHFFFAOYSA-N
MW2236.21 g/mol
LogP40.33
Rot. Bonds13

About 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine

3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine (PubChem CID 158363606) has the molecular formula C136H120Br3N7O9 and a molecular weight of 2236.21 g/mol. Its IUPAC name is 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine
PubChem CID158363606
Molecular FormulaC136H120Br3N7O9
Molecular Weight2236.21 g/mol
Exact Mass2231.67
IUPAC Name3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine
SMILESBrc1ccc2[nH]c3ccccc3c2c1.C=Cc1ccc(-c2ccc(Br)cc2)cc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(=O)n1c2ccccc2c2cc(Br)ccc21.CC(C)(C)OC(=O)n1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4[nH]c5ccccc5c4c3)cc2)cc1.c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C35H30N2O2.C30H22N2.C18H15N.C17H16BrNO2.C14H11Br.C12H8BrN.C10H18O5/c1-35(2,3)39-34(38)37-32-17-11-10-16-30(32)31-24-29(22-23-33(31)37)36(27-14-8-5-9-15-27)28-20-18-26(19-21-28)25-12-6-4-7-13-25;1-3-9-22(10-4-1)23-15-17-25(18-16-23)32(24-11-5-2-6-12-24)26-19-20-30-28(21-26)27-13-7-8-14-29(27)31-30;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17;1-17(2,3)21-16(20)19-14-7-5-4-6-12(14)13-10-11(18)8-9-15(13)19;1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h4-24H,1-3H3;1-21,31H;1-14,19H;4-10H,1-3H3;2-10H,1H2;1-7,14H;1-6H3
InChIKeyGTTLFUKPJXSNBF-UHFFFAOYSA-N
XLogP40.33
TPSA174.38 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002236.21
LogP ≤ 540.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine with MolForge

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Related Compounds

9-[4-(4-bromophenyl)phenyl]-10-phenylanthracene;N-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159237953
2-(4-bromophenyl)-9-phenylcarbazole;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 160525115
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
CID 157243597
CID 157243597
1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 158034274
2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine;hydroperoxyperoxyperoxyperoxyperoxy hypobromite
CID 160663831
1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline
CID 162081234
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
7-N-(4-ethenylphenyl)-2-N,7-N,9-triphenylcarbazole-2,7-diamine
CID 152929920
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
N-[4-[4-[N-(9H-carbazol-2-yl)anilino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 146233031
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The IUPAC name of 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine (CID 158363606) is 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine.
What is the SMILES notation for 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The canonical SMILES for 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine is Brc1ccc2[nH]c3ccccc3c2c1.C=Cc1ccc(-c2ccc(Br)cc2)cc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(=O)n1c2ccccc2c2cc(Br)ccc21.CC(C)(C)OC(=O)n1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4[nH]c5ccccc5c4c3)cc2)cc1.c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The InChIKey is GTTLFUKPJXSNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2O2.C30H22N2.C18H15N.C17H16BrNO2.C14H11Br.C12H8BrN.C10H18O5/c1-35(2,3)39-34(38)37-32-17-11-10-16-30(32)31-24-29(22-23-33(31)37)36(27-14-8-5-9-15-27)28-20-18-26(19-21-28)25-12-6-4-7-13-25;1-3-9-22(10-4-1)23-15-17-25(18-16-23)32(24-11-5-2-6-12-24)26-19-20-30-28(21-26)27-13-7-8-14-29(27)31-30;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17;1-17(2,3)21-16(20)19-14-7-5-4-6-12(14)13-10-11(18)8-9-15(13)19;1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h4-24H,1-3H3;1-21,31H;1-14,19H;4-10H,1-3H3;2-10H,1H2;1-7,14H;1-6H3.
What are the key properties of 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine?
3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine has a molecular weight of 2236.21 g/mol, XLogP of 40.33, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9H-carbazole;1-bromo-4-(4-ethenylphenyl)benzene;tert-butyl 3-bromocarbazole-9-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-(N-(4-phenylphenyl)anilino)carbazole-9-carboxylate;N,4-diphenylaniline;N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 158363606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).