6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane

C61H48 — CID 144772560

IUPAC6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane
SMILESCCCCCC.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc3-c3c2cc2ccc4c(-c5ccc6ccccc6c5)ccc5ccc3c2c54)cc1
InChIInChI=1S/C55H34.C6H14/c1-3-15-44(16-4-1)55(45-17-5-2-6-18-45)50-33-41(40-21-19-35-11-7-9-13-38(35)31-40)25-29-48(50)54-49-30-24-37-23-27-46(42-22-20-36-12-8-10-14-39(36)32-42)47-28-26-43(34-51(54)55)53(49)52(37)47;1-3-5-6-4-2/h1-34H;3-6H2,1-2H3
InChIKeyQQNVBBGQCZNVOX-UHFFFAOYSA-N
MW781.05 g/mol
LogP17.17
Rot. Bonds7

About 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane

6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane (PubChem CID 144772560) has the molecular formula C61H48 and a molecular weight of 781.05 g/mol. Its IUPAC name is 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane.

Molecular Properties

Compound Name6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane
PubChem CID144772560
Molecular FormulaC61H48
Molecular Weight781.05 g/mol
Exact Mass780.38
IUPAC Name6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane
SMILESCCCCCC.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc3-c3c2cc2ccc4c(-c5ccc6ccccc6c5)ccc5ccc3c2c54)cc1
InChIInChI=1S/C55H34.C6H14/c1-3-15-44(16-4-1)55(45-17-5-2-6-18-45)50-33-41(40-21-19-35-11-7-9-13-38(35)31-40)25-29-48(50)54-49-30-24-37-23-27-46(42-22-20-36-12-8-10-14-39(36)32-42)47-28-26-43(34-51(54)55)53(49)52(37)47;1-3-5-6-4-2/h1-34H;3-6H2,1-2H3
InChIKeyQQNVBBGQCZNVOX-UHFFFAOYSA-N
XLogP17.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.05
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane with MolForge

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Related Compounds

5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
3-[9,9-bis(4-hexylphenyl)-7-perylen-3-ylfluoren-2-yl]perylene
CID 123955515
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine
CID 170411801
2-[3-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]phenyl]-9,9'-spirobi[fluorene]
CID 170778750
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896564
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982

Frequently Asked Questions

What is the IUPAC name of 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane?
The IUPAC name of 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane (CID 144772560) is 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane.
What is the SMILES notation for 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane?
The canonical SMILES for 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane is CCCCCC.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc3-c3c2cc2ccc4c(-c5ccc6ccccc6c5)ccc5ccc3c2c54)cc1.
What is the InChIKey of 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane?
The InChIKey is QQNVBBGQCZNVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34.C6H14/c1-3-15-44(16-4-1)55(45-17-5-2-6-18-45)50-33-41(40-21-19-35-11-7-9-13-38(35)31-40)25-29-48(50)54-49-30-24-37-23-27-46(42-22-20-36-12-8-10-14-39(36)32-42)47-28-26-43(34-51(54)55)53(49)52(37)47;1-3-5-6-4-2/h1-34H;3-6H2,1-2H3.
What are the key properties of 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane?
6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane has a molecular weight of 781.05 g/mol, XLogP of 17.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane is sourced from PubChem (CID 144772560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).