9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

C61H40N2 — CID 121311550

IUPAC9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C61H40N2/c1-4-17-41(18-5-1)42-19-16-24-48(37-42)63-57-30-15-12-27-51(57)52-38-43(31-34-58(52)63)44-32-35-59-53(39-44)54-40-46(33-36-60(54)62(59)47-22-8-3-9-23-47)61(45-20-6-2-7-21-45)55-28-13-10-25-49(55)50-26-11-14-29-56(50)61/h1-40H
InChIKeyFOHLUQVLYXKXJV-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.58
Rot. Bonds6

About 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 121311550) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID121311550
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C61H40N2/c1-4-17-41(18-5-1)42-19-16-24-48(37-42)63-57-30-15-12-27-51(57)52-38-43(31-34-58(52)63)44-32-35-59-53(39-44)54-40-46(33-36-60(54)62(59)47-22-8-3-9-23-47)61(45-20-6-2-7-21-45)55-28-13-10-25-49(55)50-26-11-14-29-56(50)61/h1-40H
InChIKeyFOHLUQVLYXKXJV-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

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-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539
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
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
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (CID 121311550) is 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is FOHLUQVLYXKXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-4-17-41(18-5-1)42-19-16-24-48(37-42)63-57-30-15-12-27-51(57)52-38-43(31-34-58(52)63)44-32-35-59-53(39-44)54-40-46(33-36-60(54)62(59)47-22-8-3-9-23-47)61(45-20-6-2-7-21-45)55-28-13-10-25-49(55)50-26-11-14-29-56(50)61/h1-40H.
What are the key properties of 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]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 9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 121311550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).