3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole

C61H40N2 — CID 121311539

IUPAC3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C61H40N2/c1-4-18-41(19-5-1)42-20-16-25-47(38-42)62-58-36-34-43(48-29-17-30-52-51-28-12-15-33-57(51)63(60(48)52)46-23-8-3-9-24-46)39-53(58)54-40-45(35-37-59(54)62)61(44-21-6-2-7-22-44)55-31-13-10-26-49(55)50-27-11-14-32-56(50)61/h1-40H
InChIKeyVHOTWEUMKFUHBQ-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.58
Rot. Bonds6

About 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole

3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole (PubChem CID 121311539) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
PubChem CID121311539
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C61H40N2/c1-4-18-41(19-5-1)42-20-16-25-47(38-42)62-58-36-34-43(48-29-17-30-52-51-28-12-15-33-57(51)63(60(48)52)46-23-8-3-9-24-46)39-53(58)54-40-45(35-37-59(54)62)61(44-21-6-2-7-22-44)55-31-13-10-26-49(55)50-27-11-14-32-56(50)61/h1-40H
InChIKeyVHOTWEUMKFUHBQ-UHFFFAOYSA-N
XLogP15.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-[3-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-[3-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 157193532
3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590406
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 160904647
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole (CID 121311539) is 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc43)c2)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
The InChIKey is VHOTWEUMKFUHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-4-18-41(19-5-1)42-20-16-25-47(38-42)62-58-36-34-43(48-29-17-30-52-51-28-12-15-33-57(51)63(60(48)52)46-23-8-3-9-24-46)39-53(58)54-40-45(35-37-59(54)62)61(44-21-6-2-7-22-44)55-31-13-10-26-49(55)50-27-11-14-32-56(50)61/h1-40H.
What are the key properties of 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole has a molecular weight of 801.01 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 121311539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).