9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole

C74H70N2 — CID 138479348

IUPAC9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(C)(C)C)cc4)ccc2n3-c2ccc3ccc(-n4c5ccc(-c6ccc(C(C)(C)C)cc6)cc5c5cc(-c6ccc(C(C)(C)C)cc6)ccc54)cc3c2)cc1
InChIInChI=1S/C74H70N2/c1-71(2,3)57-27-13-47(14-28-57)52-23-37-67-63(43-52)64-44-53(48-15-29-58(30-16-48)72(4,5)6)24-38-68(64)75(67)61-35-21-51-22-36-62(42-56(51)41-61)76-69-39-25-54(49-17-31-59(32-18-49)73(7,8)9)45-65(69)66-46-55(26-40-70(66)76)50-19-33-60(34-20-50)74(10,11)12/h13-46H,1-12H3
InChIKeyZDRLQCWEVBVPCV-UHFFFAOYSA-N
MW987.39 g/mol
LogP20.89
Rot. Bonds6

About 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole

9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole (PubChem CID 138479348) has the molecular formula C74H70N2 and a molecular weight of 987.39 g/mol. Its IUPAC name is 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole.

Molecular Properties

Compound Name9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole
PubChem CID138479348
Molecular FormulaC74H70N2
Molecular Weight987.39 g/mol
Exact Mass986.55
IUPAC Name9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(C)(C)C)cc4)ccc2n3-c2ccc3ccc(-n4c5ccc(-c6ccc(C(C)(C)C)cc6)cc5c5cc(-c6ccc(C(C)(C)C)cc6)ccc54)cc3c2)cc1
InChIInChI=1S/C74H70N2/c1-71(2,3)57-27-13-47(14-28-57)52-23-37-67-63(43-52)64-44-53(48-15-29-58(30-16-48)72(4,5)6)24-38-68(64)75(67)61-35-21-51-22-36-62(42-56(51)41-61)76-69-39-25-54(49-17-31-59(32-18-49)73(7,8)9)45-65(69)66-46-55(26-40-70(66)76)50-19-33-60(34-20-50)74(10,11)12/h13-46H,1-12H3
InChIKeyZDRLQCWEVBVPCV-UHFFFAOYSA-N
XLogP20.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.39
LogP ≤ 520.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[6-[7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]naphthalen-2-yl]naphthalen-2-yl]-3,6-bis(2-methylbutan-2-yl)carbazole
CID 138479050
9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846
1-[6-[5-[6-[3,5-bis(4-tert-butylphenyl)-2-methylindol-1-yl]naphthalen-2-yl]thiophen-2-yl]naphthalen-2-yl]-3,5-bis(4-tert-butylphenyl)-2-methylindole
CID 138579628
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
5-tert-butyl-1-[6-[6-[6-(5-tert-butyl-2,3-dimethylindol-1-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]-2,3-dimethylindole
CID 138579833
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 58556543
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724

Frequently Asked Questions

What is the IUPAC name of 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole?
The IUPAC name of 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole (CID 138479348) is 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole.
What is the SMILES notation for 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole?
The canonical SMILES for 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole is CC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(C)(C)C)cc4)ccc2n3-c2ccc3ccc(-n4c5ccc(-c6ccc(C(C)(C)C)cc6)cc5c5cc(-c6ccc(C(C)(C)C)cc6)ccc54)cc3c2)cc1.
What is the InChIKey of 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole?
The InChIKey is ZDRLQCWEVBVPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H70N2/c1-71(2,3)57-27-13-47(14-28-57)52-23-37-67-63(43-52)64-44-53(48-15-29-58(30-16-48)72(4,5)6)24-38-68(64)75(67)61-35-21-51-22-36-62(42-56(51)41-61)76-69-39-25-54(49-17-31-59(32-18-49)73(7,8)9)45-65(69)66-46-55(26-40-70(66)76)50-19-33-60(34-20-50)74(10,11)12/h13-46H,1-12H3.
What are the key properties of 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole?
9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole has a molecular weight of 987.39 g/mol, XLogP of 20.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole is sourced from PubChem (CID 138479348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).