N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine

C98H84N2 — CID 89393937

IUPACN-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccc(-c4c5ccccc5c(-c5ccc(C)cc5)c5ccccc45)cc3)c3ccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6cccc(-c7ccc8c(c7)CC8)c6)cc5)c5ccccc45)cc3)cc21
InChIInChI=1S/C98H84N2/c1-4-6-8-23-62-98(63-24-9-7-5-2)92-39-22-21-30-82(92)83-61-60-81(66-93(83)98)100(78-56-50-71(51-57-78)95-86-33-15-13-31-84(86)94(69-42-40-67(3)41-43-69)85-32-14-16-34-87(85)95)79-58-52-72(53-59-79)97-90-37-19-17-35-88(90)96(89-36-18-20-38-91(89)97)70-48-54-77(55-49-70)99(76-27-11-10-12-28-76)80-29-25-26-73(65-80)75-47-45-68-44-46-74(68)64-75/h10-22,25-43,45,47-61,64-66H,4-9,23-24,44,46,62-63H2,1-3H3
InChIKeyRNPWQPANSJXVOJ-UHFFFAOYSA-N
MW1289.76 g/mol
LogP28.19
Rot. Bonds21

About N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine

N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine (PubChem CID 89393937) has the molecular formula C98H84N2 and a molecular weight of 1289.76 g/mol. Its IUPAC name is N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine
PubChem CID89393937
Molecular FormulaC98H84N2
Molecular Weight1289.76 g/mol
Exact Mass1288.66
IUPAC NameN-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccc(-c4c5ccccc5c(-c5ccc(C)cc5)c5ccccc45)cc3)c3ccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6cccc(-c7ccc8c(c7)CC8)c6)cc5)c5ccccc45)cc3)cc21
InChIInChI=1S/C98H84N2/c1-4-6-8-23-62-98(63-24-9-7-5-2)92-39-22-21-30-82(92)83-61-60-81(66-93(83)98)100(78-56-50-71(51-57-78)95-86-33-15-13-31-84(86)94(69-42-40-67(3)41-43-69)85-32-14-16-34-87(85)95)79-58-52-72(53-59-79)97-90-37-19-17-35-88(90)96(89-36-18-20-38-91(89)97)70-48-54-77(55-49-70)99(76-27-11-10-12-28-76)80-29-25-26-73(65-80)75-47-45-68-44-46-74(68)64-75/h10-22,25-43,45,47-61,64-66H,4-9,23-24,44,46,62-63H2,1-3H3
InChIKeyRNPWQPANSJXVOJ-UHFFFAOYSA-N
XLogP28.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001289.76
LogP ≤ 528.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine
CID 58389511
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline
CID 162196156
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
N-[4-[4-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 153294016
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-methylaniline
CID 58250969
9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160836885
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161002521
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161230667

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine (CID 89393937) is N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccc(-c4c5ccccc5c(-c5ccc(C)cc5)c5ccccc45)cc3)c3ccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6cccc(-c7ccc8c(c7)CC8)c6)cc5)c5ccccc45)cc3)cc21.
What is the InChIKey of N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine?
The InChIKey is RNPWQPANSJXVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H84N2/c1-4-6-8-23-62-98(63-24-9-7-5-2)92-39-22-21-30-82(92)83-61-60-81(66-93(83)98)100(78-56-50-71(51-57-78)95-86-33-15-13-31-84(86)94(69-42-40-67(3)41-43-69)85-32-14-16-34-87(85)95)79-58-52-72(53-59-79)97-90-37-19-17-35-88(90)96(89-36-18-20-38-91(89)97)70-48-54-77(55-49-70)99(76-27-11-10-12-28-76)80-29-25-26-73(65-80)75-47-45-68-44-46-74(68)64-75/h10-22,25-43,45,47-61,64-66H,4-9,23-24,44,46,62-63H2,1-3H3.
What are the key properties of N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine?
N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine has a molecular weight of 1289.76 g/mol, XLogP of 28.19, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 89393937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).