7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine

C85H67N5S2 — CID 101215400

IUPAC7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(-c3ccc(-c4ccc(-c5nc6cccnc6nc5-c5ccc(-c6ccc(-c7ccc8c(c7)C(CC)(CC)c7cc(N(c9ccccc9)c9ccccc9)ccc7-8)s6)cc5)cc4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C85H67N5S2/c1-5-84(6-2)72-52-60(39-43-68(72)70-45-41-66(54-74(70)84)89(62-22-13-9-14-23-62)63-24-15-10-16-25-63)79-49-47-77(91-79)56-31-35-58(36-32-56)81-82(88-83-76(87-81)30-21-51-86-83)59-37-33-57(34-38-59)78-48-50-80(92-78)61-40-44-69-71-46-42-67(55-75(71)85(7-3,8-4)73(69)53-61)90(64-26-17-11-18-27-64)65-28-19-12-20-29-65/h9-55H,5-8H2,1-4H3
InChIKeyLDNCLJNKPQQJBH-UHFFFAOYSA-N
MW1222.64 g/mol
LogP24.26
Rot. Bonds16

About 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine

7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine (PubChem CID 101215400) has the molecular formula C85H67N5S2 and a molecular weight of 1222.64 g/mol. Its IUPAC name is 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
PubChem CID101215400
Molecular FormulaC85H67N5S2
Molecular Weight1222.64 g/mol
Exact Mass1221.48
IUPAC Name7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(-c3ccc(-c4ccc(-c5nc6cccnc6nc5-c5ccc(-c6ccc(-c7ccc8c(c7)C(CC)(CC)c7cc(N(c9ccccc9)c9ccccc9)ccc7-8)s6)cc5)cc4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C85H67N5S2/c1-5-84(6-2)72-52-60(39-43-68(72)70-45-41-66(54-74(70)84)89(62-22-13-9-14-23-62)63-24-15-10-16-25-63)79-49-47-77(91-79)56-31-35-58(36-32-56)81-82(88-83-76(87-81)30-21-51-86-83)59-37-33-57(34-38-59)78-48-50-80(92-78)61-40-44-69-71-46-42-67(55-75(71)85(7-3,8-4)73(69)53-61)90(64-26-17-11-18-27-64)65-28-19-12-20-29-65/h9-55H,5-8H2,1-4H3
InChIKeyLDNCLJNKPQQJBH-UHFFFAOYSA-N
XLogP24.26
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001222.64
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-[5-[5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 102025534
4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline
CID 118319603
9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole
CID 101215396
7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 118424877
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine
CID 102292425
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline
CID 162003036
(E)-2-cyano-3-[5-[5-[4-(N-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)phenyl]thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid
CID 139256010
7-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-9,9-diethyl-N-(2-methylphenyl)fluoren-2-amine
CID 140935185
9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine
CID 142742012
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321

Frequently Asked Questions

What is the IUPAC name of 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine (CID 101215400) is 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine is CCC1(CC)c2cc(-c3ccc(-c4ccc(-c5nc6cccnc6nc5-c5ccc(-c6ccc(-c7ccc8c(c7)C(CC)(CC)c7cc(N(c9ccccc9)c9ccccc9)ccc7-8)s6)cc5)cc4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
The InChIKey is LDNCLJNKPQQJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H67N5S2/c1-5-84(6-2)72-52-60(39-43-68(72)70-45-41-66(54-74(70)84)89(62-22-13-9-14-23-62)63-24-15-10-16-25-63)79-49-47-77(91-79)56-31-35-58(36-32-56)81-82(88-83-76(87-81)30-21-51-86-83)59-37-33-57(34-38-59)78-48-50-80(92-78)61-40-44-69-71-46-42-67(55-75(71)85(7-3,8-4)73(69)53-61)90(64-26-17-11-18-27-64)65-28-19-12-20-29-65/h9-55H,5-8H2,1-4H3.
What are the key properties of 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 1222.64 g/mol, XLogP of 24.26, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 101215400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).