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

C54H37N3 — CID 170139674

IUPAC3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESC1=CC2C(C(n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)=C1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C54H37N3/c1-3-15-36(16-4-1)37-17-13-20-41(33-37)56-47-24-10-7-21-42(47)45-34-38(29-31-50(45)56)39-30-32-51-46(35-39)43-22-8-11-25-48(43)57(51)53-28-14-27-52-54(53)44-23-9-12-26-49(44)55(52)40-18-5-2-6-19-40/h1-35,52,54H
InChIKeyVKFXQBISFUWEHX-UHFFFAOYSA-N
MW727.91 g/mol
LogP13.94
Rot. Bonds5

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

3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 170139674) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID170139674
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESC1=CC2C(C(n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)=C1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C54H37N3/c1-3-15-36(16-4-1)37-17-13-20-41(33-37)56-47-24-10-7-21-42(47)45-34-38(29-31-50(45)56)39-30-32-51-46(35-39)43-22-8-11-25-48(43)57(51)53-28-14-27-52-54(53)44-23-9-12-26-49(44)55(52)40-18-5-2-6-19-40/h1-35,52,54H
InChIKeyVKFXQBISFUWEHX-UHFFFAOYSA-N
XLogP13.94
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
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-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
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

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 170139674) is 3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole is C1=CC2C(C(n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)=C1)c1ccccc1N2c1ccccc1.
What is the InChIKey of 3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is VKFXQBISFUWEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-3-15-36(16-4-1)37-17-13-20-41(33-37)56-47-24-10-7-21-42(47)45-34-38(29-31-50(45)56)39-30-32-51-46(35-39)43-22-8-11-25-48(43)57(51)53-28-14-27-52-54(53)44-23-9-12-26-49(44)55(52)40-18-5-2-6-19-40/h1-35,52,54H.
What are the key properties of 3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 727.91 g/mol, XLogP of 13.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 170139674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).