ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole

C58H43N — CID 144989994

IUPACethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
SMILESCC.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H37N.C2H6/c1-3-11-38(12-4-1)40-19-23-42(24-20-40)45-29-33-55-53(35-45)54-36-46(43-25-21-41(22-26-43)39-13-5-2-6-14-39)30-34-56(54)57(55)48-31-27-44(28-32-48)52-37-47-15-7-8-16-49(47)50-17-9-10-18-51(50)52;1-2/h1-37H;1-2H3
InChIKeyCJUIADFFNFBZMM-UHFFFAOYSA-N
MW753.99 g/mol
LogP16.45
Rot. Bonds6

About ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole

ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole (PubChem CID 144989994) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole.

Molecular Properties

Compound Nameethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
PubChem CID144989994
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC Nameethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
SMILESCC.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H37N.C2H6/c1-3-11-38(12-4-1)40-19-23-42(24-20-40)45-29-33-55-53(35-45)54-36-46(43-25-21-41(22-26-43)39-13-5-2-6-14-39)30-34-56(54)57(55)48-31-27-44(28-32-48)52-37-47-15-7-8-16-49(47)50-17-9-10-18-51(50)52;1-2/h1-37H;1-2H3
InChIKeyCJUIADFFNFBZMM-UHFFFAOYSA-N
XLogP16.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 516.45
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

3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
CID 144963563
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
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
CID 118531280
2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351286
3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole
CID 118475163
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
9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole
CID 58879522
N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline
CID 89491984

Frequently Asked Questions

What is the IUPAC name of ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole?
The IUPAC name of ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole (CID 144989994) is ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole.
What is the SMILES notation for ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole?
The canonical SMILES for ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole is CC.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole?
The InChIKey is CJUIADFFNFBZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N.C2H6/c1-3-11-38(12-4-1)40-19-23-42(24-20-40)45-29-33-55-53(35-45)54-36-46(43-25-21-41(22-26-43)39-13-5-2-6-14-39)30-34-56(54)57(55)48-31-27-44(28-32-48)52-37-47-15-7-8-16-49(47)50-17-9-10-18-51(50)52;1-2/h1-37H;1-2H3.
What are the key properties of ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole?
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole has a molecular weight of 753.99 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole is sourced from PubChem (CID 144989994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).