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

C64H68N2 — CID 138479050

IUPAC9-[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
SMILESCCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CC)ccc1n2-c1ccc2cc(-c3ccc4ccc(-n5c6ccc(C(C)(C)CC)cc6c6cc(C(C)(C)CC)ccc65)cc4c3)ccc2c1
InChIInChI=1S/C64H68N2/c1-13-61(5,6)47-23-29-57-53(37-47)54-38-48(62(7,8)14-2)24-30-58(54)65(57)51-28-22-44-33-42(19-20-45(44)35-51)43-18-17-41-21-27-52(36-46(41)34-43)66-59-31-25-49(63(9,10)15-3)39-55(59)56-40-50(26-32-60(56)66)64(11,12)16-4/h17-40H,13-16H2,1-12H3
InChIKeyPZJONJXWZBLTFO-UHFFFAOYSA-N
MW865.26 g/mol
LogP18.60
Rot. Bonds11

About 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

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 (PubChem CID 138479050) has the molecular formula C64H68N2 and a molecular weight of 865.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID138479050
Molecular FormulaC64H68N2
Molecular Weight865.26 g/mol
Exact Mass864.54
IUPAC Name9-[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
SMILESCCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CC)ccc1n2-c1ccc2cc(-c3ccc4ccc(-n5c6ccc(C(C)(C)CC)cc6c6cc(C(C)(C)CC)ccc65)cc4c3)ccc2c1
InChIInChI=1S/C64H68N2/c1-13-61(5,6)47-23-29-57-53(37-47)54-38-48(62(7,8)14-2)24-30-58(54)65(57)51-28-22-44-33-42(19-20-45(44)35-51)43-18-17-41-21-27-52(36-46(41)34-43)66-59-31-25-49(63(9,10)15-3)39-55(59)56-40-50(26-32-60(56)66)64(11,12)16-4/h17-40H,13-16H2,1-12H3
InChIKeyPZJONJXWZBLTFO-UHFFFAOYSA-N
XLogP18.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.26
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole
CID 138479348
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-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144745751
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 146368758
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene
CID 164772359

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CC)ccc1n2-c1ccc2cc(-c3ccc4ccc(-n5c6ccc(C(C)(C)CC)cc6c6cc(C(C)(C)CC)ccc65)cc4c3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is PZJONJXWZBLTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N2/c1-13-61(5,6)47-23-29-57-53(37-47)54-38-48(62(7,8)14-2)24-30-58(54)65(57)51-28-22-44-33-42(19-20-45(44)35-51)43-18-17-41-21-27-52(36-46(41)34-43)66-59-31-25-49(63(9,10)15-3)39-55(59)56-40-50(26-32-60(56)66)64(11,12)16-4/h17-40H,13-16H2,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 865.26 g/mol, XLogP of 18.60, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138479050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).