9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid

C108H74BBr2N3O2 — CID 90808660

IUPAC9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid
SMILESCc1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c2c1.Cc1ccc2c(-c3ccc(Br)cc3)c3ccccc3c(-c3ccc(Br)cc3)c2c1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C63H42N2.C27H18Br2.C18H14BNO2/c1-41-24-35-54-57(38-41)63(45-31-27-43(28-32-45)47-34-37-61-56(40-47)51-19-11-13-23-59(51)65(61)49-16-6-3-7-17-49)53-21-9-8-20-52(53)62(54)44-29-25-42(26-30-44)46-33-36-60-55(39-46)50-18-10-12-22-58(50)64(60)48-14-4-2-5-15-48;1-17-6-15-24-25(16-17)27(19-9-13-21(29)14-10-19)23-5-3-2-4-22(23)26(24)18-7-11-20(28)12-8-18;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h2-40H,1H3;2-16H,1H3;1-12,21-22H
InChIKeyJJICHTHNPWWWKR-UHFFFAOYSA-N
MW1616.42 g/mol
LogP28.79
Rot. Bonds10

About 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid

9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid (PubChem CID 90808660) has the molecular formula C108H74BBr2N3O2 and a molecular weight of 1616.42 g/mol. Its IUPAC name is 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid.

Molecular Properties

Compound Name9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid
PubChem CID90808660
Molecular FormulaC108H74BBr2N3O2
Molecular Weight1616.42 g/mol
Exact Mass1613.42
IUPAC Name9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid
SMILESCc1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c2c1.Cc1ccc2c(-c3ccc(Br)cc3)c3ccccc3c(-c3ccc(Br)cc3)c2c1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C63H42N2.C27H18Br2.C18H14BNO2/c1-41-24-35-54-57(38-41)63(45-31-27-43(28-32-45)47-34-37-61-56(40-47)51-19-11-13-23-59(51)65(61)49-16-6-3-7-17-49)53-21-9-8-20-52(53)62(54)44-29-25-42(26-30-44)46-33-36-60-55(39-46)50-18-10-12-22-58(50)64(60)48-14-4-2-5-15-48;1-17-6-15-24-25(16-17)27(19-9-13-21(29)14-10-19)23-5-3-2-4-22(23)26(24)18-7-11-20(28)12-8-18;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h2-40H,1H3;2-16H,1H3;1-12,21-22H
InChIKeyJJICHTHNPWWWKR-UHFFFAOYSA-N
XLogP28.79
TPSA55.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001616.42
LogP ≤ 528.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid with MolForge

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Related Compounds

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CID 68185634
9-(4-Biphenylyl)-3-(4-bromophenyl)carbazole
CID 59728582
3,6-Dibromo-9-(triphenylen-2-yl)carbazole
CID 89492331
6,6'-Dibromo-9,9'-diphenyl-3,3'-bicarbazole
CID 131852839
CID 168306203
CID 168306203
9-[4-[10-(4-Carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole
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3,3'-(2,5-Dimethyl-1,4-phenylene) bis(9-phenyl-9h-carbazole)
CID 57558506
3,3'-Bi-9H-carbazole, 6-bromo-9,9'-diphenyl-
CID 70661112
[9-Phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]boronic acid
CID 70661123
9-(6-Carbazol-9-ylpyren-1-yl)carbazole
CID 90336808
9-[4-[8-(4-Carbazol-9-ylphenyl)naphthalen-1-yl]phenyl]carbazole
CID 101741058
1,4-Bis(9-(naphthalen-2-yl)-9h-carbazol-3-yl)benzene
CID 126590420

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid?
The IUPAC name of 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid (CID 90808660) is 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid.
What is the SMILES notation for 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid?
The canonical SMILES for 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid is Cc1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c2c1.Cc1ccc2c(-c3ccc(Br)cc3)c3ccccc3c(-c3ccc(Br)cc3)c2c1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid?
The InChIKey is JJICHTHNPWWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2.C27H18Br2.C18H14BNO2/c1-41-24-35-54-57(38-41)63(45-31-27-43(28-32-45)47-34-37-61-56(40-47)51-19-11-13-23-59(51)65(61)49-16-6-3-7-17-49)53-21-9-8-20-52(53)62(54)44-29-25-42(26-30-44)46-33-36-60-55(39-46)50-18-10-12-22-58(50)64(60)48-14-4-2-5-15-48;1-17-6-15-24-25(16-17)27(19-9-13-21(29)14-10-19)23-5-3-2-4-22(23)26(24)18-7-11-20(28)12-8-18;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h2-40H,1H3;2-16H,1H3;1-12,21-22H.
What are the key properties of 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid?
9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid has a molecular weight of 1616.42 g/mol, XLogP of 28.79, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid is sourced from PubChem (CID 90808660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).