3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole

C60H37N3 — CID 168811183

IUPAC3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-2
InChIInChI=1S/C60H37N3/c1-2-17-43-41(15-1)42-16-3-4-18-44(42)52-35-39(30-33-46(52)53-36-38(29-32-45(43)53)61-55-24-10-5-19-47(55)48-20-6-11-25-56(48)61)63-59-28-14-9-23-51(59)54-37-40(31-34-60(54)63)62-57-26-12-7-21-49(57)50-22-8-13-27-58(50)62/h1-37H/b42-41-,45-43-,52-44-,53-46-
InChIKeyQYUZGTOTCWZXMY-VJRBDFRCSA-N
MW799.98 g/mol
LogP15.96
Rot. Bonds3

About 3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole

3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole (PubChem CID 168811183) has the molecular formula C60H37N3 and a molecular weight of 799.98 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
PubChem CID168811183
Molecular FormulaC60H37N3
Molecular Weight799.98 g/mol
Exact Mass799.30
IUPAC Name3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-2
InChIInChI=1S/C60H37N3/c1-2-17-43-41(15-1)42-16-3-4-18-44(42)52-35-39(30-33-46(52)53-36-38(29-32-45(43)53)61-55-24-10-5-19-47(55)48-20-6-11-25-56(48)61)63-59-28-14-9-23-51(59)54-37-40(31-34-60(54)63)62-57-26-12-7-21-49(57)50-22-8-13-27-58(50)62/h1-37H/b42-41-,45-43-,52-44-,53-46-
InChIKeyQYUZGTOTCWZXMY-VJRBDFRCSA-N
XLogP15.96
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.98
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione
CID 144761612
5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole
CID 138568989
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29-pentadecaen-22-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8(13),9,11,14,16,18,20,22,24,27,29-pentadecaen-10-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-5-yl)carbazole
CID 165082856
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
11-carbazol-9-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 137294852
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole (CID 168811183) is 3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole is c1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-2.
What is the InChIKey of 3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole?
The InChIKey is QYUZGTOTCWZXMY-VJRBDFRCSA-N. The full InChI is InChI=1S/C60H37N3/c1-2-17-43-41(15-1)42-16-3-4-18-44(42)52-35-39(30-33-46(52)53-36-38(29-32-45(43)53)61-55-24-10-5-19-47(55)48-20-6-11-25-56(48)61)63-59-28-14-9-23-51(59)54-37-40(31-34-60(54)63)62-57-26-12-7-21-49(57)50-22-8-13-27-58(50)62/h1-37H/b42-41-,45-43-,52-44-,53-46-.
What are the key properties of 3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole?
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole has a molecular weight of 799.98 g/mol, XLogP of 15.96, 3 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-(6-carbazol-9-yltetraphenylen-2-yl)carbazole is sourced from PubChem (CID 168811183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).