17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol

C50H34O2 — CID 89216058

IUPAC17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol
SMILESOC1(c2ccccc2-c2ccccc2)c2ccccc2C(O)(c2ccccc2-c2ccccc2)c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C50H34O2/c51-49(43-27-13-11-21-35(43)33-17-3-1-4-18-33)45-29-15-16-30-46(45)50(52,44-28-14-12-22-36(44)34-19-5-2-6-20-34)48-32-42-40-26-10-8-24-38(40)37-23-7-9-25-39(37)41(42)31-47(48)49/h1-32,51-52H
InChIKeyZVXJYYZACPPWTI-UHFFFAOYSA-N
MW666.82 g/mol
LogP11.36
Rot. Bonds4

About 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol

17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol (PubChem CID 89216058) has the molecular formula C50H34O2 and a molecular weight of 666.82 g/mol. Its IUPAC name is 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol.

Molecular Properties

Compound Name17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol
PubChem CID89216058
Molecular FormulaC50H34O2
Molecular Weight666.82 g/mol
Exact Mass666.26
IUPAC Name17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol
SMILESOC1(c2ccccc2-c2ccccc2)c2ccccc2C(O)(c2ccccc2-c2ccccc2)c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C50H34O2/c51-49(43-27-13-11-21-35(43)33-17-3-1-4-18-33)45-29-15-16-30-46(45)50(52,44-28-14-12-22-36(44)34-19-5-2-6-20-34)48-32-42-40-26-10-8-24-38(40)37-23-7-9-25-39(37)41(42)31-47(48)49/h1-32,51-52H
InChIKeyZVXJYYZACPPWTI-UHFFFAOYSA-N
XLogP11.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 511.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol with MolForge

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Related Compounds

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CID 59760565
5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol
CID 159840837
3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol
CID 164732050
9-[2-(4-chlorophenyl)phenyl]-2,7-bis(3-phenylphenyl)fluoren-9-ol
CID 155407363
1-bromo-2-phenylbenzene;ethane;hydron;14-(2-phenylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol;spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene];tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-one
CID 161247327
1-(2-phenylphenyl)cyclopropan-1-ol
CID 117300652
2-chloro-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
CID 134194053
14-(3,5-diphenylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 121391754
9-(2-methylphenyl)-4-phenylfluoren-9-ol
CID 123855078
9-(2-bromophenyl)-4-phenylfluoren-9-ol
CID 118049400
1-(2-phenylphenyl)cyclopentan-1-ol
CID 23151757

Frequently Asked Questions

What is the IUPAC name of 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol?
The IUPAC name of 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol (CID 89216058) is 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol.
What is the SMILES notation for 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol?
The canonical SMILES for 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol is OC1(c2ccccc2-c2ccccc2)c2ccccc2C(O)(c2ccccc2-c2ccccc2)c2cc3c4ccccc4c4ccccc4c3cc21.
What is the InChIKey of 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol?
The InChIKey is ZVXJYYZACPPWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34O2/c51-49(43-27-13-11-21-35(43)33-17-3-1-4-18-33)45-29-15-16-30-46(45)50(52,44-28-14-12-22-36(44)34-19-5-2-6-20-34)48-32-42-40-26-10-8-24-38(40)37-23-7-9-25-39(37)41(42)31-47(48)49/h1-32,51-52H.
What are the key properties of 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol?
17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol has a molecular weight of 666.82 g/mol, XLogP of 11.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol is sourced from PubChem (CID 89216058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).