16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene

C50H30 — CID 167411794

IUPAC16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccc5cccc6c7ccccc7c7ccccc7c(c3)c4c56)c3ccc4ccccc4c23)cc1
InChIInChI=1S/C50H30/c1-2-14-32(15-3-1)48-43-23-11-10-22-42(43)46(44-28-27-31-13-4-5-17-36(31)50(44)48)35-29-34-26-25-33-16-12-24-41-39-20-8-6-18-37(39)38-19-7-9-21-40(38)45(30-35)49(34)47(33)41/h1-30H/b38-37-,41-39-,45-40-
InChIKeyKWFIELOFUXGWRQ-UKCXCXQTSA-N
MW630.79 g/mol
LogP14.25
Rot. Bonds2

About 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene

16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene (PubChem CID 167411794) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene.

Molecular Properties

Compound Name16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
PubChem CID167411794
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccc5cccc6c7ccccc7c7ccccc7c(c3)c4c56)c3ccc4ccccc4c23)cc1
InChIInChI=1S/C50H30/c1-2-14-32(15-3-1)48-43-23-11-10-22-42(43)46(44-28-27-31-13-4-5-17-36(31)50(44)48)35-29-34-26-25-33-16-12-24-41-39-20-8-6-18-37(39)38-19-7-9-21-40(38)45(30-35)49(34)47(33)41/h1-30H/b38-37-,41-39-,45-40-
InChIKeyKWFIELOFUXGWRQ-UKCXCXQTSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene with MolForge

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Related Compounds

4-(10-phenylanthracen-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412900
4-[4-(10-phenylanthracen-9-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412773
7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene
CID 59629514
3,7,10-triphenylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 58453949
16-benzo[a]anthracen-7-ylhexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
CID 167413015
12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene
CID 140792268
7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene
CID 58535903
4-[10-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)anthracen-9-yl]pyridine
CID 167411574
9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene
CID 160634464
7-naphthalen-2-yl-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535897
10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene
CID 140792247
17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene
CID 164754288

Frequently Asked Questions

What is the IUPAC name of 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene?
The IUPAC name of 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene (CID 167411794) is 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene.
What is the SMILES notation for 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene?
The canonical SMILES for 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene is c1ccc(-c2c3ccccc3c(-c3cc4ccc5cccc6c7ccccc7c7ccccc7c(c3)c4c56)c3ccc4ccccc4c23)cc1.
What is the InChIKey of 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene?
The InChIKey is KWFIELOFUXGWRQ-UKCXCXQTSA-N. The full InChI is InChI=1S/C50H30/c1-2-14-32(15-3-1)48-43-23-11-10-22-42(43)46(44-28-27-31-13-4-5-17-36(31)50(44)48)35-29-34-26-25-33-16-12-24-41-39-20-8-6-18-37(39)38-19-7-9-21-40(38)45(30-35)49(34)47(33)41/h1-30H/b38-37-,41-39-,45-40-.
What are the key properties of 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene?
16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene has a molecular weight of 630.79 g/mol, XLogP of 14.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene is sourced from PubChem (CID 167411794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).