6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene

C105H102O2 — CID 100935063

IUPAC6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
SMILESCCCCCCc1cc(-c2ccc(-c3ccc(-c4ccc5c6c(ccc5c4)OCOc4ccc5cc(-c7ccc(-c8ccc(-c9cc(CCCCCC)c(-c%10ccc(-c%11ccccc%11)cc%10)cc9CCCCCC)cc8)cc7)ccc5c4-6)cc3)cc2)c(CCCCCC)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C105H102O2/c1-5-9-13-19-31-90-71-100(92(33-21-15-11-7-3)69-98(90)84-51-43-76(44-52-84)74-27-23-17-24-28-74)86-55-47-80(48-56-86)78-35-39-82(40-36-78)88-59-63-96-94(67-88)61-65-102-104(96)105-97-64-60-89(68-95(97)62-66-103(105)107-73-106-102)83-41-37-79(38-42-83)81-49-57-87(58-50-81)101-72-91(32-20-14-10-6-2)99(70-93(101)34-22-16-12-8-4)85-53-45-77(46-54-85)75-29-25-18-26-30-75/h17-18,23-30,35-72H,5-16,19-22,31-34,73H2,1-4H3
InChIKeyLZZSUMQRIZTNJO-UHFFFAOYSA-N
MW1395.97 g/mol
LogP30.55
Rot. Bonds30

About 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene

6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene (PubChem CID 100935063) has the molecular formula C105H102O2 and a molecular weight of 1395.97 g/mol. Its IUPAC name is 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene.

Molecular Properties

Compound Name6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
PubChem CID100935063
Molecular FormulaC105H102O2
Molecular Weight1395.97 g/mol
Exact Mass1394.79
IUPAC Name6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
SMILESCCCCCCc1cc(-c2ccc(-c3ccc(-c4ccc5c6c(ccc5c4)OCOc4ccc5cc(-c7ccc(-c8ccc(-c9cc(CCCCCC)c(-c%10ccc(-c%11ccccc%11)cc%10)cc9CCCCCC)cc8)cc7)ccc5c4-6)cc3)cc2)c(CCCCCC)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C105H102O2/c1-5-9-13-19-31-90-71-100(92(33-21-15-11-7-3)69-98(90)84-51-43-76(44-52-84)74-27-23-17-24-28-74)86-55-47-80(48-56-86)78-35-39-82(40-36-78)88-59-63-96-94(67-88)61-65-102-104(96)105-97-64-60-89(68-95(97)62-66-103(105)107-73-106-102)83-41-37-79(38-42-83)81-49-57-87(58-50-81)101-72-91(32-20-14-10-6-2)99(70-93(101)34-22-16-12-8-4)85-53-45-77(46-54-85)75-29-25-18-26-30-75/h17-18,23-30,35-72H,5-16,19-22,31-34,73H2,1-4H3
InChIKeyLZZSUMQRIZTNJO-UHFFFAOYSA-N
XLogP30.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.97
LogP ≤ 530.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene with MolForge

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Related Compounds

1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
6,41-bis(3-hexylthiophen-2-yl)-12,35-dioxanonacyclo[34.8.0.02,11.03,8.014,23.017,22.024,33.025,30.039,44]tetratetraconta-1(36),2(11),3(8),4,6,9,14(23),15,17,19,21,24(33),25,27,29,31,37,39(44),40,42-icosaene
CID 122227164
4-[4-(N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 58233056
2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169036257
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
3-ethyl-4-nonyl-2,6-diphenylphenol
CID 174697041
18,19-dibromo-6,31-didodecyl-12,15,22,25-tetraoxahexacyclo[24.8.0.02,11.03,8.016,21.029,34]tetratriaconta-1(26),2(11),3(8),4,6,9,16,18,20,27,29(34),30,32-tridecaene
CID 101126933
N-(4-bromophenyl)-N-[4-[4-[4-[4-(N-(4-bromophenyl)-4-phenylanilino)phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-4-phenylaniline
CID 87103295
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
1-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-5-(4-methylphenyl)naphthalene
CID 123328178
6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
CID 166440328
2-octyl-5-phenyl-1H-indole
CID 134909135

Frequently Asked Questions

What is the IUPAC name of 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene?
The IUPAC name of 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene (CID 100935063) is 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene.
What is the SMILES notation for 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene?
The canonical SMILES for 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene is CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccc5c6c(ccc5c4)OCOc4ccc5cc(-c7ccc(-c8ccc(-c9cc(CCCCCC)c(-c%10ccc(-c%11ccccc%11)cc%10)cc9CCCCCC)cc8)cc7)ccc5c4-6)cc3)cc2)c(CCCCCC)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene?
The InChIKey is LZZSUMQRIZTNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H102O2/c1-5-9-13-19-31-90-71-100(92(33-21-15-11-7-3)69-98(90)84-51-43-76(44-52-84)74-27-23-17-24-28-74)86-55-47-80(48-56-86)78-35-39-82(40-36-78)88-59-63-96-94(67-88)61-65-102-104(96)105-97-64-60-89(68-95(97)62-66-103(105)107-73-106-102)83-41-37-79(38-42-83)81-49-57-87(58-50-81)101-72-91(32-20-14-10-6-2)99(70-93(101)34-22-16-12-8-4)85-53-45-77(46-54-85)75-29-25-18-26-30-75/h17-18,23-30,35-72H,5-16,19-22,31-34,73H2,1-4H3.
What are the key properties of 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene?
6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene has a molecular weight of 1395.97 g/mol, XLogP of 30.55, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene is sourced from PubChem (CID 100935063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).