7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium

C61H60N+ — CID 174294287

IUPAC7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium
SMILESCc1cc2c(cc1-c1ccccc1[N+]1(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccccc3-c3cc4c(cc31)C(C)(C)CCC4(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C61H60N/c1-39-34-51-52(59(4,5)31-30-58(51,2)3)36-48(39)46-22-14-16-24-55(46)62(42-28-26-40(27-29-42)49-35-41-18-10-11-19-43(41)44-20-12-13-21-45(44)49)56-25-17-15-23-47(56)50-37-53-54(38-57(50)62)61(8,9)33-32-60(53,6)7/h10-29,34-38H,30-33H2,1-9H3/q+1
InChIKeyJAAYWMBTNBBIDS-UHFFFAOYSA-N
MW807.16 g/mol
LogP17.62
Rot. Bonds4

About 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium

7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium (PubChem CID 174294287) has the molecular formula C61H60N+ and a molecular weight of 807.16 g/mol. Its IUPAC name is 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium.

Molecular Properties

Compound Name7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium
PubChem CID174294287
Molecular FormulaC61H60N+
Molecular Weight807.16 g/mol
Exact Mass806.47
IUPAC Name7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium
SMILESCc1cc2c(cc1-c1ccccc1[N+]1(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccccc3-c3cc4c(cc31)C(C)(C)CCC4(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C61H60N/c1-39-34-51-52(59(4,5)31-30-58(51,2)3)36-48(39)46-22-14-16-24-55(46)62(42-28-26-40(27-29-42)49-35-41-18-10-11-19-43(41)44-20-12-13-21-45(44)49)56-25-17-15-23-47(56)50-37-53-54(38-57(50)62)61(8,9)33-32-60(53,6)7/h10-29,34-38H,30-33H2,1-9H3/q+1
InChIKeyJAAYWMBTNBBIDS-UHFFFAOYSA-N
XLogP17.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.16
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium with MolForge

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Related Compounds

N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 174294103
3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 174294093
9-(3,6,9,9-tetramethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58905948
2-phenanthren-9-yl-4-(4-phenylphenyl)-6-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171748971
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
9-(4-methyl-2,5-diphenylphenyl)phenanthrene
CID 167535758
4-methyl-6-(4-phenanthren-9-ylphenyl)dibenzothiophene
CID 87688408
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 141035604
9-(2-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123185164

Frequently Asked Questions

What is the IUPAC name of 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium?
The IUPAC name of 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium (CID 174294287) is 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium.
What is the SMILES notation for 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium?
The canonical SMILES for 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium is Cc1cc2c(cc1-c1ccccc1[N+]1(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccccc3-c3cc4c(cc31)C(C)(C)CCC4(C)C)C(C)(C)CCC2(C)C.
What is the InChIKey of 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium?
The InChIKey is JAAYWMBTNBBIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N/c1-39-34-51-52(59(4,5)31-30-58(51,2)3)36-48(39)46-22-14-16-24-55(46)62(42-28-26-40(27-29-42)49-35-41-18-10-11-19-43(41)44-20-12-13-21-45(44)49)56-25-17-15-23-47(56)50-37-53-54(38-57(50)62)61(8,9)33-32-60(53,6)7/h10-29,34-38H,30-33H2,1-9H3/q+1.
What are the key properties of 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium?
7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium has a molecular weight of 807.16 g/mol, XLogP of 17.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium is sourced from PubChem (CID 174294287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).