3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole

C76H49N — CID 118971958

IUPAC3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5-c5ccccc5)cc4c4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C76H49N/c1-4-18-50(19-5-1)51-32-38-60(39-33-51)77-75-42-36-56(63-40-34-58(46-69(63)52-20-6-2-7-21-52)71-44-54-24-10-12-26-61(54)65-28-14-16-30-67(65)71)48-73(75)74-49-57(37-43-76(74)77)64-41-35-59(47-70(64)53-22-8-3-9-23-53)72-45-55-25-11-13-27-62(55)66-29-15-17-31-68(66)72/h1-49H
InChIKeyPPIIANKQQAEETK-UHFFFAOYSA-N
MW976.24 g/mol
LogP21.07
Rot. Bonds8

About 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole

3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole (PubChem CID 118971958) has the molecular formula C76H49N and a molecular weight of 976.24 g/mol. Its IUPAC name is 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
PubChem CID118971958
Molecular FormulaC76H49N
Molecular Weight976.24 g/mol
Exact Mass975.39
IUPAC Name3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5-c5ccccc5)cc4c4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C76H49N/c1-4-18-50(19-5-1)51-32-38-60(39-33-51)77-75-42-36-56(63-40-34-58(46-69(63)52-20-6-2-7-21-52)71-44-54-24-10-12-26-61(54)65-28-14-16-30-67(65)71)48-73(75)74-49-57(37-43-76(74)77)64-41-35-59(47-70(64)53-22-8-3-9-23-53)72-45-55-25-11-13-27-62(55)66-29-15-17-31-68(66)72/h1-49H
InChIKeyPPIIANKQQAEETK-UHFFFAOYSA-N
XLogP21.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.24
LogP ≤ 521.07
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-yl-2-phenylphenyl)carbazole
CID 118531280
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole
CID 58879522
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
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
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
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359
9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
CID 144963563

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole (CID 118971958) is 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5-c5ccccc5)cc4c4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5-c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole?
The InChIKey is PPIIANKQQAEETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H49N/c1-4-18-50(19-5-1)51-32-38-60(39-33-51)77-75-42-36-56(63-40-34-58(46-69(63)52-20-6-2-7-21-52)71-44-54-24-10-12-26-61(54)65-28-14-16-30-67(65)71)48-73(75)74-49-57(37-43-76(74)77)64-41-35-59(47-70(64)53-22-8-3-9-23-53)72-45-55-25-11-13-27-62(55)66-29-15-17-31-68(66)72/h1-49H.
What are the key properties of 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole?
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole has a molecular weight of 976.24 g/mol, XLogP of 21.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 118971958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).