3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole

C47H39N3 — CID 90215679

IUPAC3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccnc7)ccc65)cc4)cc3)cc2)C1(C)C
InChIInChI=1S/C47H39N3/c1-46(2)42-12-6-8-14-45(42)50(47(46,3)4)39-26-21-35(22-27-39)33-17-15-32(16-18-33)34-19-24-38(25-20-34)49-43-13-7-5-11-40(43)41-30-36(23-28-44(41)49)37-10-9-29-48-31-37/h5-31H,1-4H3
InChIKeyWYBZZIHACJDPIT-UHFFFAOYSA-N
MW645.85 g/mol
LogP12.39
Rot. Bonds5

About 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole

3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole (PubChem CID 90215679) has the molecular formula C47H39N3 and a molecular weight of 645.85 g/mol. Its IUPAC name is 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole
PubChem CID90215679
Molecular FormulaC47H39N3
Molecular Weight645.85 g/mol
Exact Mass645.31
IUPAC Name3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccnc7)ccc65)cc4)cc3)cc2)C1(C)C
InChIInChI=1S/C47H39N3/c1-46(2)42-12-6-8-14-45(42)50(47(46,3)4)39-26-21-35(22-27-39)33-17-15-32(16-18-33)34-19-24-38(25-20-34)49-43-13-7-5-11-40(43)41-30-36(23-28-44(41)49)37-10-9-29-48-31-37/h5-31H,1-4H3
InChIKeyWYBZZIHACJDPIT-UHFFFAOYSA-N
XLogP12.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.85
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
9-[6-(3,5-dipyridin-3-ylphenyl)-9,9,10,10-tetramethylanthracen-2-yl]carbazole
CID 146209484
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
15-phenyl-4,9-bis(3-pyridin-3-ylcarbazol-9-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137512
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
CID 163439035
9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 164843360
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 164843356
3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole
CID 163509183
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
CID 158303930

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole (CID 90215679) is 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole is CC1(C)c2ccccc2N(c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccnc7)ccc65)cc4)cc3)cc2)C1(C)C.
What is the InChIKey of 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is WYBZZIHACJDPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N3/c1-46(2)42-12-6-8-14-45(42)50(47(46,3)4)39-26-21-35(22-27-39)33-17-15-32(16-18-33)34-19-24-38(25-20-34)49-43-13-7-5-11-40(43)41-30-36(23-28-44(41)49)37-10-9-29-48-31-37/h5-31H,1-4H3.
What are the key properties of 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole?
3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 645.85 g/mol, XLogP of 12.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 90215679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).