3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole

C72H48N2 — CID 154590783

IUPAC3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccc(-c8cccc(-c9cccc(-c%10ccccc%10)c9)c8)cc7)cc6)ccc54)c3)cc2)cc1
InChIInChI=1S/C72H48N2/c1-3-14-49(15-4-1)51-28-34-55(35-29-51)60-22-13-23-64(46-60)74-70-27-10-8-25-66(70)68-48-62(39-43-72(68)74)61-38-42-71-67(47-61)65-24-7-9-26-69(65)73(71)63-40-36-53(37-41-63)52-30-32-54(33-31-52)57-19-12-21-59(45-57)58-20-11-18-56(44-58)50-16-5-2-6-17-50/h1-48H
InChIKeyPATVHZYNRQLIAW-UHFFFAOYSA-N
MW941.19 g/mol
LogP19.55
Rot. Bonds9

About 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole

3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole (PubChem CID 154590783) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
PubChem CID154590783
Molecular FormulaC72H48N2
Molecular Weight941.19 g/mol
Exact Mass940.38
IUPAC Name3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccc(-c8cccc(-c9cccc(-c%10ccccc%10)c9)c8)cc7)cc6)ccc54)c3)cc2)cc1
InChIInChI=1S/C72H48N2/c1-3-14-49(15-4-1)51-28-34-55(35-29-51)60-22-13-23-64(46-60)74-70-27-10-8-25-66(70)68-48-62(39-43-72(68)74)61-38-42-71-67(47-61)65-24-7-9-26-69(65)73(71)63-40-36-53(37-41-63)52-30-32-54(33-31-52)57-19-12-21-59(45-57)58-20-11-18-56(44-58)50-16-5-2-6-17-50/h1-48H
InChIKeyPATVHZYNRQLIAW-UHFFFAOYSA-N
XLogP19.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 519.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 166922681

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole (CID 154590783) is 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccc(-c8cccc(-c9cccc(-c%10ccccc%10)c9)c8)cc7)cc6)ccc54)c3)cc2)cc1.
What is the InChIKey of 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is PATVHZYNRQLIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-3-14-49(15-4-1)51-28-34-55(35-29-51)60-22-13-23-64(46-60)74-70-27-10-8-25-66(70)68-48-62(39-43-72(68)74)61-38-42-71-67(47-61)65-24-7-9-26-69(65)73(71)63-40-36-53(37-41-63)52-30-32-54(33-31-52)57-19-12-21-59(45-57)58-20-11-18-56(44-58)50-16-5-2-6-17-50/h1-48H.
What are the key properties of 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 941.19 g/mol, XLogP of 19.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).