3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole

C70H50Br2N2O2 — CID 163550993

IUPAC3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(COCc4ccc(COCc5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc(Br)cc9)ccc87)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H50Br2N2O2/c71-59-31-21-55(22-32-59)57-29-39-69-65(41-57)63-5-1-3-7-67(63)73(69)61-35-25-53(26-36-61)51-17-13-49(14-18-51)45-75-43-47-9-11-48(12-10-47)44-76-46-50-15-19-52(20-16-50)54-27-37-62(38-28-54)74-68-8-4-2-6-64(68)66-42-58(30-40-70(66)74)56-23-33-60(72)34-24-56/h1-42H,43-46H2
InChIKeyFJBIQBWGLSMGCW-UHFFFAOYSA-N
MW1110.99 g/mol
LogP19.51
Rot. Bonds14

About 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole

3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole (PubChem CID 163550993) has the molecular formula C70H50Br2N2O2 and a molecular weight of 1110.99 g/mol. Its IUPAC name is 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole
PubChem CID163550993
Molecular FormulaC70H50Br2N2O2
Molecular Weight1110.99 g/mol
Exact Mass1108.22
IUPAC Name3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(COCc4ccc(COCc5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc(Br)cc9)ccc87)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H50Br2N2O2/c71-59-31-21-55(22-32-59)57-29-39-69-65(41-57)63-5-1-3-7-67(63)73(69)61-35-25-53(26-36-61)51-17-13-49(14-18-51)45-75-43-47-9-11-48(12-10-47)44-76-46-50-15-19-52(20-16-50)54-27-37-62(38-28-54)74-68-8-4-2-6-64(68)66-42-58(30-40-70(66)74)56-23-33-60(72)34-24-56/h1-42H,43-46H2
InChIKeyFJBIQBWGLSMGCW-UHFFFAOYSA-N
XLogP19.51
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.99
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole with MolForge

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Related Compounds

4-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
CID 159380291
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole?
The IUPAC name of 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole (CID 163550993) is 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole?
The canonical SMILES for 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole is Brc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(COCc4ccc(COCc5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc(Br)cc9)ccc87)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole?
The InChIKey is FJBIQBWGLSMGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50Br2N2O2/c71-59-31-21-55(22-32-59)57-29-39-69-65(41-57)63-5-1-3-7-67(63)73(69)61-35-25-53(26-36-61)51-17-13-49(14-18-51)45-75-43-47-9-11-48(12-10-47)44-76-46-50-15-19-52(20-16-50)54-27-37-62(38-28-54)74-68-8-4-2-6-64(68)66-42-58(30-40-70(66)74)56-23-33-60(72)34-24-56/h1-42H,43-46H2.
What are the key properties of 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole?
3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole has a molecular weight of 1110.99 g/mol, XLogP of 19.51, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 163550993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).