9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole

C62H54N2 — CID 172537510

IUPAC9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole
SMILESCCCCCc1cc(C2=CC3=CC=C4C=C(c5cc(CCCCC)cc(-n6c7ccccc7c7ccccc76)c5)C=C5C=CC(=C2)C3C45)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H54N2/c1-3-5-7-17-41-31-47(39-51(33-41)63-57-23-13-9-19-53(57)54-20-10-14-24-58(54)63)49-35-43-27-29-45-37-50(38-46-30-28-44(36-49)61(43)62(45)46)48-32-42(18-8-6-4-2)34-52(40-48)64-59-25-15-11-21-55(59)56-22-12-16-26-60(56)64/h9-16,19-40,61-62H,3-8,17-18H2,1-2H3
InChIKeyFPTFVIGVHWRWEY-UHFFFAOYSA-N
MW827.13 g/mol
LogP16.36
Rot. Bonds12

About 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole

9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole (PubChem CID 172537510) has the molecular formula C62H54N2 and a molecular weight of 827.13 g/mol. Its IUPAC name is 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole
PubChem CID172537510
Molecular FormulaC62H54N2
Molecular Weight827.13 g/mol
Exact Mass826.43
IUPAC Name9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole
SMILESCCCCCc1cc(C2=CC3=CC=C4C=C(c5cc(CCCCC)cc(-n6c7ccccc7c7ccccc76)c5)C=C5C=CC(=C2)C3C45)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H54N2/c1-3-5-7-17-41-31-47(39-51(33-41)63-57-23-13-9-19-53(57)54-20-10-14-24-58(54)63)49-35-43-27-29-45-37-50(38-46-30-28-44(36-49)61(43)62(45)46)48-32-42(18-8-6-4-2)34-52(40-48)64-59-25-15-11-21-55(59)56-22-12-16-26-60(56)64/h9-16,19-40,61-62H,3-8,17-18H2,1-2H3
InChIKeyFPTFVIGVHWRWEY-UHFFFAOYSA-N
XLogP16.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.13
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
9-[4-[3-(4-carbazol-9-ylphenyl)-7-dodecylpyren-1-yl]phenyl]carbazole
CID 139380326
9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
CID 59273670
12,26-bis(4-decylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 86703822
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
2-octylazulene
CID 101406191
3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 170132546
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170176958
3,6-dibutyl-9-[4-[4-[3-[4-(3-butylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]carbazole
CID 146355722
2-(7-butyldibenzofuran-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001548

Frequently Asked Questions

What is the IUPAC name of 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole?
The IUPAC name of 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole (CID 172537510) is 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole.
What is the SMILES notation for 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole?
The canonical SMILES for 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole is CCCCCc1cc(C2=CC3=CC=C4C=C(c5cc(CCCCC)cc(-n6c7ccccc7c7ccccc76)c5)C=C5C=CC(=C2)C3C45)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole?
The InChIKey is FPTFVIGVHWRWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H54N2/c1-3-5-7-17-41-31-47(39-51(33-41)63-57-23-13-9-19-53(57)54-20-10-14-24-58(54)63)49-35-43-27-29-45-37-50(38-46-30-28-44(36-49)61(43)62(45)46)48-32-42(18-8-6-4-2)34-52(40-48)64-59-25-15-11-21-55(59)56-22-12-16-26-60(56)64/h9-16,19-40,61-62H,3-8,17-18H2,1-2H3.
What are the key properties of 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole?
9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole has a molecular weight of 827.13 g/mol, XLogP of 16.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole is sourced from PubChem (CID 172537510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).