3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

C149H183Br5N4O9 — CID 91323967

IUPAC3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCCCCCCCCOc1cc(-c2cccnc2)c(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1OCCCCCCCC.CCCCCCCCOc1cc(Br)c(-c2cccnc2)cc1OCCCCCCCC.CCCCCCCCOc1cc2c(cc1OCCCCCCCC)C1(c3cc(Br)ccc3-c3ccc(Br)cc31)c1ncccc1-2.CCCCCCCCOc1cc2c(cc1OCCCCCCCC)C1(c3cc(C)ccc3-c3ccc(C)cc31)c1ncccc1-2
InChIInChI=1S/C42H51NO2.C40H47Br2NO3.C40H45Br2NO2.C27H40BrNO2/c1-5-7-9-11-13-15-24-44-39-28-35-34-18-17-23-43-41(34)42(38(35)29-40(39)45-25-16-14-12-10-8-6-2)36-26-30(3)19-21-32(36)33-22-20-31(4)27-37(33)42;1-3-5-7-9-11-13-22-45-38-26-34(29-16-15-21-43-28-29)37(27-39(38)46-23-14-12-10-8-6-4-2)40(44)35-24-30(41)17-19-32(35)33-20-18-31(42)25-36(33)40;1-3-5-7-9-11-13-22-44-37-26-33-32-16-15-21-43-39(32)40(36(33)27-38(37)45-23-14-12-10-8-6-4-2)34-24-28(41)17-19-30(34)31-20-18-29(42)25-35(31)40;1-3-5-7-9-11-13-18-30-26-20-24(23-16-15-17-29-22-23)25(28)21-27(26)31-19-14-12-10-8-6-4-2/h17-23,26-29H,5-16,24-25H2,1-4H3;15-21,24-28,44H,3-14,22-23H2,1-2H3;15-21,24-27H,3-14,22-23H2,1-2H3;15-17,20-22H,3-14,18-19H2,1-2H3
InChIKeyOADSBGUQQAUDDQ-UHFFFAOYSA-N
MW2573.64 g/mol
LogP44.96
Rot. Bonds67

About 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (PubChem CID 91323967) has the molecular formula C149H183Br5N4O9 and a molecular weight of 2573.64 g/mol. Its IUPAC name is 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine].

Molecular Properties

Compound Name3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
PubChem CID91323967
Molecular FormulaC149H183Br5N4O9
Molecular Weight2573.64 g/mol
Exact Mass2566.99
IUPAC Name3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCCCCCCCCOc1cc(-c2cccnc2)c(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1OCCCCCCCC.CCCCCCCCOc1cc(Br)c(-c2cccnc2)cc1OCCCCCCCC.CCCCCCCCOc1cc2c(cc1OCCCCCCCC)C1(c3cc(Br)ccc3-c3ccc(Br)cc31)c1ncccc1-2.CCCCCCCCOc1cc2c(cc1OCCCCCCCC)C1(c3cc(C)ccc3-c3ccc(C)cc31)c1ncccc1-2
InChIInChI=1S/C42H51NO2.C40H47Br2NO3.C40H45Br2NO2.C27H40BrNO2/c1-5-7-9-11-13-15-24-44-39-28-35-34-18-17-23-43-41(34)42(38(35)29-40(39)45-25-16-14-12-10-8-6-2)36-26-30(3)19-21-32(36)33-22-20-31(4)27-37(33)42;1-3-5-7-9-11-13-22-45-38-26-34(29-16-15-21-43-28-29)37(27-39(38)46-23-14-12-10-8-6-4-2)40(44)35-24-30(41)17-19-32(35)33-20-18-31(42)25-36(33)40;1-3-5-7-9-11-13-22-44-37-26-33-32-16-15-21-43-39(32)40(36(33)27-38(37)45-23-14-12-10-8-6-4-2)34-24-28(41)17-19-30(34)31-20-18-29(42)25-35(31)40;1-3-5-7-9-11-13-18-30-26-20-24(23-16-15-17-29-22-23)25(28)21-27(26)31-19-14-12-10-8-6-4-2/h17-23,26-29H,5-16,24-25H2,1-4H3;15-21,24-28,44H,3-14,22-23H2,1-2H3;15-21,24-27H,3-14,22-23H2,1-2H3;15-17,20-22H,3-14,18-19H2,1-2H3
InChIKeyOADSBGUQQAUDDQ-UHFFFAOYSA-N
XLogP44.96
TPSA145.63 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds67
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002573.64
LogP ≤ 544.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2',7'-dibromo-2,3-dimethyl-6,7-dioctoxy-9,9'-spirobi[fluorene];2,7-dibromo-9-[2-(3,4-dioctoxyphenyl)-4,5-dimethylphenyl]fluoren-9-ol
CID 123632574
9-[4-octoxy-2-(3-octoxyphenyl)phenyl]fluoren-9-ol
CID 101242540
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene
CID 123601449
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 158706072
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
(9R,10S)-9,10-bis(3,4-dihexoxyphenyl)phenanthrene-9,10-diol
CID 10795236
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
CID 134368344
3-(4-octoxyphenyl)pyridine
CID 90176946
2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]
CID 168791383

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The IUPAC name of 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (CID 91323967) is 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine].
What is the SMILES notation for 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The canonical SMILES for 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is CCCCCCCCOc1cc(-c2cccnc2)c(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1OCCCCCCCC.CCCCCCCCOc1cc(Br)c(-c2cccnc2)cc1OCCCCCCCC.CCCCCCCCOc1cc2c(cc1OCCCCCCCC)C1(c3cc(Br)ccc3-c3ccc(Br)cc31)c1ncccc1-2.CCCCCCCCOc1cc2c(cc1OCCCCCCCC)C1(c3cc(C)ccc3-c3ccc(C)cc31)c1ncccc1-2.
What is the InChIKey of 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The InChIKey is OADSBGUQQAUDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H51NO2.C40H47Br2NO3.C40H45Br2NO2.C27H40BrNO2/c1-5-7-9-11-13-15-24-44-39-28-35-34-18-17-23-43-41(34)42(38(35)29-40(39)45-25-16-14-12-10-8-6-2)36-26-30(3)19-21-32(36)33-22-20-31(4)27-37(33)42;1-3-5-7-9-11-13-22-45-38-26-34(29-16-15-21-43-28-29)37(27-39(38)46-23-14-12-10-8-6-4-2)40(44)35-24-30(41)17-19-32(35)33-20-18-31(42)25-36(33)40;1-3-5-7-9-11-13-22-44-37-26-33-32-16-15-21-43-39(32)40(36(33)27-38(37)45-23-14-12-10-8-6-4-2)34-24-28(41)17-19-30(34)31-20-18-29(42)25-35(31)40;1-3-5-7-9-11-13-18-30-26-20-24(23-16-15-17-29-22-23)25(28)21-27(26)31-19-14-12-10-8-6-4-2/h17-23,26-29H,5-16,24-25H2,1-4H3;15-21,24-28,44H,3-14,22-23H2,1-2H3;15-21,24-27H,3-14,22-23H2,1-2H3;15-17,20-22H,3-14,18-19H2,1-2H3.
What are the key properties of 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine] has a molecular weight of 2573.64 g/mol, XLogP of 44.96, 67 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,5-dioctoxyphenyl)pyridine;2,7-dibromo-9-(4,5-dioctoxy-2-pyridin-3-ylphenyl)fluoren-9-ol;2,7-dibromo-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine];2,7-dimethyl-6',7'-dioctoxyspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 91323967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).