9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole

C102H74BBrN2O2 — CID 159882999

IUPAC9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
SMILESBrc1c2ccccc2c(-c2ccccc2)c2ccccc12.CC1(C)OB(c2cc3c(c4ccccc24)c2ccc(-c4ccccc4)cc2n3-c2ccccc2)OC1(C)C.c1ccc(-c2ccc3c4c5ccccc5c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H31N.C34H30BNO2.C20H13Br/c1-4-16-32(17-5-1)34-28-29-42-44(30-34)49(35-20-8-3-9-21-35)45-31-43(36-22-10-11-23-37(36)48(42)45)47-40-26-14-12-24-38(40)46(33-18-6-2-7-19-33)39-25-13-15-27-41(39)47;1-33(2)34(3,4)38-35(37-33)29-22-31-32(27-18-12-11-17-26(27)29)28-20-19-24(23-13-7-5-8-14-23)21-30(28)36(31)25-15-9-6-10-16-25;21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-31H;5-22H,1-4H3;1-13H
InChIKeyNTTQCAJAMJLFPP-UHFFFAOYSA-N
MW1450.44 g/mol
LogP27.57
Rot. Bonds8

About 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole

9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole (PubChem CID 159882999) has the molecular formula C102H74BBrN2O2 and a molecular weight of 1450.44 g/mol. Its IUPAC name is 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
PubChem CID159882999
Molecular FormulaC102H74BBrN2O2
Molecular Weight1450.44 g/mol
Exact Mass1448.50
IUPAC Name9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
SMILESBrc1c2ccccc2c(-c2ccccc2)c2ccccc12.CC1(C)OB(c2cc3c(c4ccccc24)c2ccc(-c4ccccc4)cc2n3-c2ccccc2)OC1(C)C.c1ccc(-c2ccc3c4c5ccccc5c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H31N.C34H30BNO2.C20H13Br/c1-4-16-32(17-5-1)34-28-29-42-44(30-34)49(35-20-8-3-9-21-35)45-31-43(36-22-10-11-23-37(36)48(42)45)47-40-26-14-12-24-38(40)46(33-18-6-2-7-19-33)39-25-13-15-27-41(39)47;1-33(2)34(3,4)38-35(37-33)29-22-31-32(27-18-12-11-17-26(27)29)28-20-19-24(23-13-7-5-8-14-23)21-30(28)36(31)25-15-9-6-10-16-25;21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-31H;5-22H,1-4H3;1-13H
InChIKeyNTTQCAJAMJLFPP-UHFFFAOYSA-N
XLogP27.57
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001450.44
LogP ≤ 527.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole with MolForge

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Related Compounds

16-Bromo-9-(2,3,4,5,6-pentafluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene
CID 87411993
16-Bromo-3-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene
CID 89341801
2-Phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole
CID 142347268
3-[3-Bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole
CID 145133684
4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 159334180
9-Bromo-10-[4-(trifluoromethyl)phenyl]anthracene;(4-carbazol-9-ylphenyl)boronic acid;9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 160946895
9-Bromo-10-[4-(trifluoromethyl)phenyl]anthracene;(4-carbazol-9-ylphenyl)boronic acid;methane;9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161767511
5-[2-Bromo-3-(2-tert-butylbenzo[b]carbazol-5-yl)-5-(2-fluorophenyl)phenyl]-2-tert-butylbenzo[b]carbazole
CID 162480625
7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
CID 163599667
12-[2-Bromo-3-(3,6-ditert-butylcarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 164534071
6-(3-Fluoronaphthalen-2-yl)-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazole
CID 172102508
9-(10-bromo-9-anthryl)-9H-carbazole
CID 638581

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
The IUPAC name of 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole (CID 159882999) is 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole.
What is the SMILES notation for 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
The canonical SMILES for 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole is Brc1c2ccccc2c(-c2ccccc2)c2ccccc12.CC1(C)OB(c2cc3c(c4ccccc24)c2ccc(-c4ccccc4)cc2n3-c2ccccc2)OC1(C)C.c1ccc(-c2ccc3c4c5ccccc5c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
The InChIKey is NTTQCAJAMJLFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N.C34H30BNO2.C20H13Br/c1-4-16-32(17-5-1)34-28-29-42-44(30-34)49(35-20-8-3-9-21-35)45-31-43(36-22-10-11-23-37(36)48(42)45)47-40-26-14-12-24-38(40)46(33-18-6-2-7-19-33)39-25-13-15-27-41(39)47;1-33(2)34(3,4)38-35(37-33)29-22-31-32(27-18-12-11-17-26(27)29)28-20-19-24(23-13-7-5-8-14-23)21-30(28)36(31)25-15-9-6-10-16-25;21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-31H;5-22H,1-4H3;1-13H.
What are the key properties of 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole has a molecular weight of 1450.44 g/mol, XLogP of 27.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-phenylanthracene;7,9-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]carbazole;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole is sourced from PubChem (CID 159882999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).