3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole

C76H49N — CID 118972103

IUPAC3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)cc4c4cc(-c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C76H49N/c1-2-12-50(13-3-1)55-38-42-64(43-39-55)77-75-44-40-60(56-26-22-51(23-27-56)53-30-34-58(35-31-53)71-48-62-14-4-6-16-65(62)67-18-8-10-20-69(67)71)46-73(75)74-47-61(41-45-76(74)77)57-28-24-52(25-29-57)54-32-36-59(37-33-54)72-49-63-15-5-7-17-66(63)68-19-9-11-21-70(68)72/h1-49H
InChIKeyZQCYWEIDEJNUQA-UHFFFAOYSA-N
MW976.24 g/mol
LogP21.07
Rot. Bonds8

About 3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole

3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole (PubChem CID 118972103) has the molecular formula C76H49N and a molecular weight of 976.24 g/mol. Its IUPAC name is 3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
PubChem CID118972103
Molecular FormulaC76H49N
Molecular Weight976.24 g/mol
Exact Mass975.39
IUPAC Name3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)cc4c4cc(-c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C76H49N/c1-2-12-50(13-3-1)55-38-42-64(43-39-55)77-75-44-40-60(56-26-22-51(23-27-56)53-30-34-58(35-31-53)71-48-62-14-4-6-16-65(62)67-18-8-10-20-69(67)71)46-73(75)74-47-61(41-45-76(74)77)57-28-24-52(25-29-57)54-32-36-59(37-33-54)72-49-63-15-5-7-17-66(63)68-19-9-11-21-70(68)72/h1-49H
InChIKeyZQCYWEIDEJNUQA-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

ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
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
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-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
CID 144963563
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202
2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351286
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
CID 118531280
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 3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole (CID 118972103) is 3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)cc4c4cc(-c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole?
The InChIKey is ZQCYWEIDEJNUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H49N/c1-2-12-50(13-3-1)55-38-42-64(43-39-55)77-75-44-40-60(56-26-22-51(23-27-56)53-30-34-58(35-31-53)71-48-62-14-4-6-16-65(62)67-18-8-10-20-69(67)71)46-73(75)74-47-61(41-45-76(74)77)57-28-24-52(25-29-57)54-32-36-59(37-33-54)72-49-63-15-5-7-17-66(63)68-19-9-11-21-70(68)72/h1-49H.
What are the key properties of 3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole?
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-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-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 118972103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).