N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C71H52FNS — CID 167069139

IUPACN-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESC=C/C=c1\c(=C(/C)c2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccc6-c6ccccc6)cc5)cc43)cc2)sc2ccccc12
InChIInChI=1S/C71H52FNS/c1-5-17-62-61-23-12-16-27-68(61)74-69(62)46(2)47-28-33-51(34-29-47)71(52-35-37-53(72)38-36-52)64-25-14-10-22-58(64)60-42-32-50(44-66(60)71)48-30-39-54(40-31-48)73(67-26-15-11-20-56(67)49-18-7-6-8-19-49)55-41-43-59-57-21-9-13-24-63(57)70(3,4)65(59)45-55/h5-45H,1H2,2-4H3/b62-17-,69-46-
InChIKeyBQLIOHRRUJWXJF-SMJYAEMKSA-N
MW970.27 g/mol
LogP17.70
Rot. Bonds9

About N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 167069139) has the molecular formula C71H52FNS and a molecular weight of 970.27 g/mol. Its IUPAC name is N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID167069139
Molecular FormulaC71H52FNS
Molecular Weight970.27 g/mol
Exact Mass969.38
IUPAC NameN-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESC=C/C=c1\c(=C(/C)c2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccc6-c6ccccc6)cc5)cc43)cc2)sc2ccccc12
InChIInChI=1S/C71H52FNS/c1-5-17-62-61-23-12-16-27-68(61)74-69(62)46(2)47-28-33-51(34-29-47)71(52-35-37-53(72)38-36-52)64-25-14-10-22-58(64)60-42-32-50(44-66(60)71)48-30-39-54(40-31-48)73(67-26-15-11-20-56(67)49-18-7-6-8-19-49)55-41-43-59-57-21-9-13-24-63(57)70(3,4)65(59)45-55/h5-45H,1H2,2-4H3/b62-17-,69-46-
InChIKeyBQLIOHRRUJWXJF-SMJYAEMKSA-N
XLogP17.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.27
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 167069139) is N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is C=C/C=c1\c(=C(/C)c2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccc6-c6ccccc6)cc5)cc43)cc2)sc2ccccc12.
What is the InChIKey of N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is BQLIOHRRUJWXJF-SMJYAEMKSA-N. The full InChI is InChI=1S/C71H52FNS/c1-5-17-62-61-23-12-16-27-68(61)74-69(62)46(2)47-28-33-51(34-29-47)71(52-35-37-53(72)38-36-52)64-25-14-10-22-58(64)60-42-32-50(44-66(60)71)48-30-39-54(40-31-48)73(67-26-15-11-20-56(67)49-18-7-6-8-19-49)55-41-43-59-57-21-9-13-24-63(57)70(3,4)65(59)45-55/h5-45H,1H2,2-4H3/b62-17-,69-46-.
What are the key properties of N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 970.27 g/mol, XLogP of 17.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-fluorophenyl)-9-[4-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]phenyl]fluoren-2-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 167069139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).