3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole

C58H35N — CID 90180389

IUPAC3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(C4=C5C(=C(c6cccc7ccccc67)c6cc7ccccc7cc65)c5cc6ccccc6cc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H35N/c1-3-14-36(15-4-1)42-26-28-53-47(30-42)48-35-43(27-29-54(48)59(53)44-22-5-2-6-23-44)55-49-31-38-17-7-9-19-40(38)33-51(49)58-56(46-25-13-21-37-16-11-12-24-45(37)46)50-32-39-18-8-10-20-41(39)34-52(50)57(55)58/h1-35H
InChIKeyPMBFLBJAVDPODY-UHFFFAOYSA-N
MW745.93 g/mol
LogP15.16
Rot. Bonds4

About 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole

3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole (PubChem CID 90180389) has the molecular formula C58H35N and a molecular weight of 745.93 g/mol. Its IUPAC name is 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole
PubChem CID90180389
Molecular FormulaC58H35N
Molecular Weight745.93 g/mol
Exact Mass745.28
IUPAC Name3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(C4=C5C(=C(c6cccc7ccccc67)c6cc7ccccc7cc65)c5cc6ccccc6cc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H35N/c1-3-14-36(15-4-1)42-26-28-53-47(30-42)48-35-43(27-29-54(48)59(53)44-22-5-2-6-23-44)55-49-31-38-17-7-9-19-40(38)33-51(49)58-56(46-25-13-21-37-16-11-12-24-45(37)46)50-32-39-18-8-10-20-41(39)34-52(50)57(55)58/h1-35H
InChIKeyPMBFLBJAVDPODY-UHFFFAOYSA-N
XLogP15.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.93
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole with MolForge

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Related Compounds

3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694

Frequently Asked Questions

What is the IUPAC name of 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole?
The IUPAC name of 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole (CID 90180389) is 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole.
What is the SMILES notation for 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole?
The canonical SMILES for 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(C4=C5C(=C(c6cccc7ccccc67)c6cc7ccccc7cc65)c5cc6ccccc6cc54)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole?
The InChIKey is PMBFLBJAVDPODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N/c1-3-14-36(15-4-1)42-26-28-53-47(30-42)48-35-43(27-29-54(48)59(53)44-22-5-2-6-23-44)55-49-31-38-17-7-9-19-40(38)33-51(49)58-56(46-25-13-21-37-16-11-12-24-45(37)46)50-32-39-18-8-10-20-41(39)34-52(50)57(55)58/h1-35H.
What are the key properties of 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole?
3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole has a molecular weight of 745.93 g/mol, XLogP of 15.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-6,9-diphenylcarbazole is sourced from PubChem (CID 90180389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).