3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole

C56H48N2 — CID 58489450

IUPAC3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-n3c(-c4cccc5ccccc45)ccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C56H48N2/c1-55(2,3)41-25-31-53-49(35-41)50-36-42(56(4,5)6)26-32-54(50)58(53)44-29-23-38(24-30-44)37-21-27-43(28-22-37)57-51(47-19-11-15-39-13-7-9-17-45(39)47)33-34-52(57)48-20-12-16-40-14-8-10-18-46(40)48/h7-36H,1-6H3
InChIKeyWVRKFFZNXZLGMG-UHFFFAOYSA-N
MW749.01 g/mol
LogP15.48
Rot. Bonds5

About 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole

3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole (PubChem CID 58489450) has the molecular formula C56H48N2 and a molecular weight of 749.01 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole
PubChem CID58489450
Molecular FormulaC56H48N2
Molecular Weight749.01 g/mol
Exact Mass748.38
IUPAC Name3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-n3c(-c4cccc5ccccc45)ccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C56H48N2/c1-55(2,3)41-25-31-53-49(35-41)50-36-42(56(4,5)6)26-32-54(50)58(53)44-29-23-38(24-30-44)37-21-27-43(28-22-37)57-51(47-19-11-15-39-13-7-9-17-45(39)47)33-34-52(57)48-20-12-16-40-14-8-10-18-46(40)48/h7-36H,1-6H3
InChIKeyWVRKFFZNXZLGMG-UHFFFAOYSA-N
XLogP15.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.01
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 163845433
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
3,6-ditert-butyl-9-[4-[4-(4-carbazol-9-ylphenyl)-2,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]carbazole
CID 146556924
9-(4-benzo[b]triphenylen-9-ylphenyl)-3,6-ditert-butylcarbazole
CID 126633197
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]-3-naphthalen-2-ylcarbazole;3-naphthalen-1-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-naphthalen-2-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 161107291
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
1-N,3-N-bis[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816003
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole (CID 58489450) is 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-n3c(-c4cccc5ccccc45)ccc3-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole?
The InChIKey is WVRKFFZNXZLGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N2/c1-55(2,3)41-25-31-53-49(35-41)50-36-42(56(4,5)6)26-32-54(50)58(53)44-29-23-38(24-30-44)37-21-27-43(28-22-37)57-51(47-19-11-15-39-13-7-9-17-45(39)47)33-34-52(57)48-20-12-16-40-14-8-10-18-46(40)48/h7-36H,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole?
3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole has a molecular weight of 749.01 g/mol, XLogP of 15.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58489450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).