3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole

C61H39N3 — CID 167052712

IUPAC3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc54)cccc32)cc1
InChIInChI=1S/C61H39N3/c1-3-18-40(19-4-1)61(51-27-12-7-22-44(51)45-23-8-13-28-52(45)61)41-34-36-56-49(38-41)50-39-43(63-53-29-14-9-24-46(53)47-25-10-15-30-54(47)63)35-37-57(50)64(56)59-33-17-32-58-60(59)48-26-11-16-31-55(48)62(58)42-20-5-2-6-21-42/h1-39H
InChIKeyGFDRMSWMENCRTF-UHFFFAOYSA-N
MW814.00 g/mol
LogP15.34
Rot. Bonds5

About 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole

3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole (PubChem CID 167052712) has the molecular formula C61H39N3 and a molecular weight of 814.00 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole
PubChem CID167052712
Molecular FormulaC61H39N3
Molecular Weight814.00 g/mol
Exact Mass813.31
IUPAC Name3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc54)cccc32)cc1
InChIInChI=1S/C61H39N3/c1-3-18-40(19-4-1)61(51-27-12-7-22-44(51)45-23-8-13-28-52(45)61)41-34-36-56-49(38-41)50-39-43(63-53-29-14-9-24-46(53)47-25-10-15-30-54(47)63)35-37-57(50)64(56)59-33-17-32-58-60(59)48-26-11-16-31-55(48)62(58)42-20-5-2-6-21-42/h1-39H
InChIKeyGFDRMSWMENCRTF-UHFFFAOYSA-N
XLogP15.34
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
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-[9-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[2-[4-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[3-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161306862
2-(9-phenylcarbazol-3-yl)-9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole;3-[9-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-[2-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 159900613
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
[4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588529
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-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
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

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole (CID 167052712) is 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole is c1ccc(-n2c3ccccc3c3c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc54)cccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole?
The InChIKey is GFDRMSWMENCRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3/c1-3-18-40(19-4-1)61(51-27-12-7-22-44(51)45-23-8-13-28-52(45)61)41-34-36-56-49(38-41)50-39-43(63-53-29-14-9-24-46(53)47-25-10-15-30-54(47)63)35-37-57(50)64(56)59-33-17-32-58-60(59)48-26-11-16-31-55(48)62(58)42-20-5-2-6-21-42/h1-39H.
What are the key properties of 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole?
3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole has a molecular weight of 814.00 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole is sourced from PubChem (CID 167052712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).