5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine

C105H69NO3S3 — CID 153299335

IUPAC5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(N(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7c6ccc6ccccc76)s5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7c6ccc6ccccc76)s5)s4)c4ccccc4-c4c3ccc3ccccc43)ccc2c1
InChIInChI=1S/C105H69NO3S3/c1-4-7-58-107-79-46-37-70-61-76(43-34-73(70)64-79)103(88-31-19-16-28-85(88)100-82-25-13-10-22-67(82)40-49-91(100)103)94-52-55-97(110-94)106(98-56-53-95(111-98)104(77-44-35-74-65-80(108-59-8-5-2)47-38-71(74)62-77)89-32-20-17-29-86(89)101-83-26-14-11-23-68(83)41-50-92(101)104)99-57-54-96(112-99)105(78-45-36-75-66-81(109-60-9-6-3)48-39-72(75)63-78)90-33-21-18-30-87(90)102-84-27-15-12-24-69(84)42-51-93(102)105/h10-57,61-66H,58-60H2,1-3H3
InChIKeyJDSWLVMURCLWCW-UHFFFAOYSA-N
MW1488.91 g/mol
LogP26.56
Rot. Bonds15

About 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine

5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine (PubChem CID 153299335) has the molecular formula C105H69NO3S3 and a molecular weight of 1488.91 g/mol. Its IUPAC name is 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine
PubChem CID153299335
Molecular FormulaC105H69NO3S3
Molecular Weight1488.91 g/mol
Exact Mass1487.44
IUPAC Name5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(N(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7c6ccc6ccccc76)s5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7c6ccc6ccccc76)s5)s4)c4ccccc4-c4c3ccc3ccccc43)ccc2c1
InChIInChI=1S/C105H69NO3S3/c1-4-7-58-107-79-46-37-70-61-76(43-34-73(70)64-79)103(88-31-19-16-28-85(88)100-82-25-13-10-22-67(82)40-49-91(100)103)94-52-55-97(110-94)106(98-56-53-95(111-98)104(77-44-35-74-65-80(108-59-8-5-2)47-38-71(74)62-77)89-32-20-17-29-86(89)101-83-26-14-11-23-68(83)41-50-92(101)104)99-57-54-96(112-99)105(78-45-36-75-66-81(109-60-9-6-3)48-39-72(75)63-78)90-33-21-18-30-87(90)102-84-27-15-12-24-69(84)42-51-93(102)105/h10-57,61-66H,58-60H2,1-3H3
InChIKeyJDSWLVMURCLWCW-UHFFFAOYSA-N
XLogP26.56
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001488.91
LogP ≤ 526.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine with MolForge

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Related Compounds

2-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-5-[tris[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]methyl]thiophene
CID 153299395
5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]-N,N-bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]thiophen-2-amine
CID 153299434
11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene
CID 153299426
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenoxy]phenyl]indeno[1,2-c]pyridine
CID 153299420
9-(6-but-2-ynoxynaphthalen-2-yl)-9-[4-[4-[9-(6-but-2-ynoxynaphthalen-2-yl)xanthen-9-yl]phenyl]sulfanylphenyl]xanthene
CID 153299422
4-[9-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothioxanthen-9-yl]-N,N-bis[4-[9-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothioxanthen-9-yl]phenyl]aniline
CID 153299495
2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]phenyl]sulfanylphenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 153299415
11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene
CID 157208087
5-[4-[1,1-bis[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]ethyl]phenyl]-5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridine
CID 153299364
9-(6-but-2-ynoxynaphthalen-2-yl)-9-[4-[4-[9-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothioxanthen-9-yl]phenoxy]phenyl]thioxanthene 10,10-dioxide
CID 153299477
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
8-(6-but-2-ynoxynaphthalen-2-yl)-8-[4-[[4-[8-(6-but-2-ynoxynaphthalen-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]methyl]phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153299475

Frequently Asked Questions

What is the IUPAC name of 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine?
The IUPAC name of 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine (CID 153299335) is 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine.
What is the SMILES notation for 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine?
The canonical SMILES for 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine is CC#CCOc1ccc2cc(C3(c4ccc(N(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7c6ccc6ccccc76)s5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7c6ccc6ccccc76)s5)s4)c4ccccc4-c4c3ccc3ccccc43)ccc2c1.
What is the InChIKey of 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine?
The InChIKey is JDSWLVMURCLWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H69NO3S3/c1-4-7-58-107-79-46-37-70-61-76(43-34-73(70)64-79)103(88-31-19-16-28-85(88)100-82-25-13-10-22-67(82)40-49-91(100)103)94-52-55-97(110-94)106(98-56-53-95(111-98)104(77-44-35-74-65-80(108-59-8-5-2)47-38-71(74)62-77)89-32-20-17-29-86(89)101-83-26-14-11-23-68(83)41-50-92(101)104)99-57-54-96(112-99)105(78-45-36-75-66-81(109-60-9-6-3)48-39-72(75)63-78)90-33-21-18-30-87(90)102-84-27-15-12-24-69(84)42-51-93(102)105/h10-57,61-66H,58-60H2,1-3H3.
What are the key properties of 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine?
5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine has a molecular weight of 1488.91 g/mol, XLogP of 26.56, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine is sourced from PubChem (CID 153299335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).