9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole

C91H57N — CID 118475080

IUPAC9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
SMILESc1ccc2c(c1)cc(-c1ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc6)ccc4n5-c4ccc5c(c4)Cc4cc(-c6cc7ccccc7c7ccccc67)ccc4-5)cc3)cc1)c1ccccc12
InChIInChI=1S/C91H57N/c1-4-16-74-67(13-1)54-85(82-22-10-7-19-79(74)82)63-37-33-59(34-38-63)57-25-29-61(30-26-57)65-42-47-90-88(52-65)89-53-66(62-31-27-58(28-32-62)60-35-39-64(40-36-60)86-55-68-14-2-5-17-75(68)80-20-8-11-23-83(80)86)43-48-91(89)92(90)73-44-46-78-72(51-73)50-71-49-70(41-45-77(71)78)87-56-69-15-3-6-18-76(69)81-21-9-12-24-84(81)87/h1-49,51-56H,50H2
InChIKeyNNZPWCAHFHJCGJ-UHFFFAOYSA-N
MW1164.46 g/mol
LogP24.94
Rot. Bonds8

About 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole

9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole (PubChem CID 118475080) has the molecular formula C91H57N and a molecular weight of 1164.46 g/mol. Its IUPAC name is 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
PubChem CID118475080
Molecular FormulaC91H57N
Molecular Weight1164.46 g/mol
Exact Mass1163.45
IUPAC Name9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
SMILESc1ccc2c(c1)cc(-c1ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc6)ccc4n5-c4ccc5c(c4)Cc4cc(-c6cc7ccccc7c7ccccc67)ccc4-5)cc3)cc1)c1ccccc12
InChIInChI=1S/C91H57N/c1-4-16-74-67(13-1)54-85(82-22-10-7-19-79(74)82)63-37-33-59(34-38-63)57-25-29-61(30-26-57)65-42-47-90-88(52-65)89-53-66(62-31-27-58(28-32-62)60-35-39-64(40-36-60)86-55-68-14-2-5-17-75(68)80-20-8-11-23-83(80)86)43-48-91(89)92(90)73-44-46-78-72(51-73)50-71-49-70(41-45-77(71)78)87-56-69-15-3-6-18-76(69)81-21-9-12-24-84(81)87/h1-49,51-56H,50H2
InChIKeyNNZPWCAHFHJCGJ-UHFFFAOYSA-N
XLogP24.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001164.46
LogP ≤ 524.94
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-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole
CID 118475163
3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole
CID 118475131
9-(7-naphthalen-1-yl-9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475106
9-(9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475206
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
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475197
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475186
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
CID 118475183

Frequently Asked Questions

What is the IUPAC name of 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole (CID 118475080) is 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole is c1ccc2c(c1)cc(-c1ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc6)ccc4n5-c4ccc5c(c4)Cc4cc(-c6cc7ccccc7c7ccccc67)ccc4-5)cc3)cc1)c1ccccc12.
What is the InChIKey of 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole?
The InChIKey is NNZPWCAHFHJCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H57N/c1-4-16-74-67(13-1)54-85(82-22-10-7-19-79(74)82)63-37-33-59(34-38-63)57-25-29-61(30-26-57)65-42-47-90-88(52-65)89-53-66(62-31-27-58(28-32-62)60-35-39-64(40-36-60)86-55-68-14-2-5-17-75(68)80-20-8-11-23-83(80)86)43-48-91(89)92(90)73-44-46-78-72(51-73)50-71-49-70(41-45-77(71)78)87-56-69-15-3-6-18-76(69)81-21-9-12-24-84(81)87/h1-49,51-56H,50H2.
What are the key properties of 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole?
9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole has a molecular weight of 1164.46 g/mol, XLogP of 24.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 118475080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).