10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C56H37Br3P2 — CID 22973849

IUPAC10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESBrc1cc2ccccc2c2c1CP(c1ccccc1P1Cc3c(Br)cc4ccccc4c3-c3c(c(-c4ccccc4)cc4ccccc34)C1)Cc1c(Br)cc3ccccc3c1-2
InChIInChI=1S/C56H37Br3P2/c57-48-27-36-17-5-9-21-40(36)54-45(48)31-60(30-44-43(34-14-2-1-3-15-34)26-35-16-4-8-20-39(35)53(44)54)51-24-12-13-25-52(51)61-32-46-49(58)28-37-18-6-10-22-41(37)55(46)56-42-23-11-7-19-38(42)29-50(59)47(56)33-61/h1-29H,30-33H2
InChIKeyGHCCLYHQOUBCQD-UHFFFAOYSA-N
MW1011.57 g/mol
LogP17.23
Rot. Bonds3

About 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 22973849) has the molecular formula C56H37Br3P2 and a molecular weight of 1011.57 g/mol. Its IUPAC name is 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID22973849
Molecular FormulaC56H37Br3P2
Molecular Weight1011.57 g/mol
Exact Mass1007.99
IUPAC Name10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESBrc1cc2ccccc2c2c1CP(c1ccccc1P1Cc3c(Br)cc4ccccc4c3-c3c(c(-c4ccccc4)cc4ccccc34)C1)Cc1c(Br)cc3ccccc3c1-2
InChIInChI=1S/C56H37Br3P2/c57-48-27-36-17-5-9-21-40(36)54-45(48)31-60(30-44-43(34-14-2-1-3-15-34)26-35-16-4-8-20-39(35)53(44)54)51-24-12-13-25-52(51)61-32-46-49(58)28-37-18-6-10-22-41(37)55(46)56-42-23-11-7-19-38(42)29-50(59)47(56)33-61/h1-29H,30-33H2
InChIKeyGHCCLYHQOUBCQD-UHFFFAOYSA-N
XLogP17.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.57
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene with MolForge

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Related Compounds

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CID 102315162
3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene
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2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
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[(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane
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dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
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13,13-dibutyl-10,16-diphenyl-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene bromide
CID 159201858
3-bromo-2-phenylnaphthalen-1-ol
CID 121316488
2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene
CID 164709035
10-bromo-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 102339907
13,13-dibutyl-10,16-bis(4-phenylphenyl)-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene bromide
CID 11228121

Frequently Asked Questions

What is the IUPAC name of 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 22973849) is 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is Brc1cc2ccccc2c2c1CP(c1ccccc1P1Cc3c(Br)cc4ccccc4c3-c3c(c(-c4ccccc4)cc4ccccc34)C1)Cc1c(Br)cc3ccccc3c1-2.
What is the InChIKey of 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is GHCCLYHQOUBCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37Br3P2/c57-48-27-36-17-5-9-21-40(36)54-45(48)31-60(30-44-43(34-14-2-1-3-15-34)26-35-16-4-8-20-39(35)53(44)54)51-24-12-13-25-52(51)61-32-46-49(58)28-37-18-6-10-22-41(37)55(46)56-42-23-11-7-19-38(42)29-50(59)47(56)33-61/h1-29H,30-33H2.
What are the key properties of 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 1011.57 g/mol, XLogP of 17.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 22973849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).