9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane

C72H51N — CID 144963563

IUPAC9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
SMILESCC.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C70H45N.C2H6/c1-3-15-46(16-4-1)48-27-31-50(32-28-48)52-35-37-69-67(42-52)68-43-53(51-33-29-49(30-34-51)47-17-5-2-6-18-47)36-38-70(68)71(69)58-40-56(65-44-54-19-7-9-21-59(54)61-23-11-13-25-63(61)65)39-57(41-58)66-45-55-20-8-10-22-60(55)62-24-12-14-26-64(62)66;1-2/h1-45H;1-2H3
InChIKeyNIGRSXHCLFSVHB-UHFFFAOYSA-N
MW930.21 g/mol
LogP20.42
Rot. Bonds7

About 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane

9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane (PubChem CID 144963563) has the molecular formula C72H51N and a molecular weight of 930.21 g/mol. Its IUPAC name is 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane.

Molecular Properties

Compound Name9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
PubChem CID144963563
Molecular FormulaC72H51N
Molecular Weight930.21 g/mol
Exact Mass929.40
IUPAC Name9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
SMILESCC.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C70H45N.C2H6/c1-3-15-46(16-4-1)48-27-31-50(32-28-48)52-35-37-69-67(42-52)68-43-53(51-33-29-49(30-34-51)47-17-5-2-6-18-47)36-38-70(68)71(69)58-40-56(65-44-54-19-7-9-21-59(54)61-23-11-13-25-63(61)65)39-57(41-58)66-45-55-20-8-10-22-60(55)62-24-12-14-26-64(62)66;1-2/h1-45H;1-2H3
InChIKeyNIGRSXHCLFSVHB-UHFFFAOYSA-N
XLogP20.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.21
LogP ≤ 520.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
CID 118531280
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202
3-[9-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 88559224
3-[6-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]-9-phenylcarbazole
CID 139500873
9-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500830
9-[3-phenanthren-9-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole
CID 139500561
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159711358

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane?
The IUPAC name of 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane (CID 144963563) is 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane.
What is the SMILES notation for 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane?
The canonical SMILES for 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane is CC.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.
What is the InChIKey of 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane?
The InChIKey is NIGRSXHCLFSVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N.C2H6/c1-3-15-46(16-4-1)48-27-31-50(32-28-48)52-35-37-69-67(42-52)68-43-53(51-33-29-49(30-34-51)47-17-5-2-6-18-47)36-38-70(68)71(69)58-40-56(65-44-54-19-7-9-21-59(54)61-23-11-13-25-63(61)65)39-57(41-58)66-45-55-20-8-10-22-60(55)62-24-12-14-26-64(62)66;1-2/h1-45H;1-2H3.
What are the key properties of 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane?
9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane has a molecular weight of 930.21 g/mol, XLogP of 20.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane is sourced from PubChem (CID 144963563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).