N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)

C219H185N7 — CID 158933288

IUPACN-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)
SMILESC=CC.C=CC.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(C)c8ccccc8)cc7)cc6)cc5)ccc3-4)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(C)ccc7-8)cc6)cc5)ccc3-4)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(Cc7ccccc7)(Cc7ccccc7)c7cc(C)ccc7-8)cc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C80H64N2.C68H56N2.C65H53N3.2C3H6/c1-55-25-37-67(38-26-55)81(65-21-13-7-14-22-65)68-39-28-59(29-40-68)62-34-46-71-72-47-35-63(51-76(72)79(3,4)75(71)50-62)60-30-41-69(42-31-60)82(66-23-15-8-16-24-66)70-43-32-61(33-44-70)64-36-48-74-73-45-27-56(2)49-77(73)80(78(74)52-64,53-57-17-9-5-10-18-57)54-58-19-11-6-12-20-58;1-45-17-29-55(30-18-45)69(53-13-9-7-10-14-53)56-31-20-48(21-32-56)51-27-39-61-62-40-28-52(44-66(62)68(5,6)65(61)43-51)49-24-35-58(36-25-49)70(54-15-11-8-12-16-54)57-33-22-47(23-34-57)50-26-38-60-59-37-19-46(2)41-63(59)67(3,4)64(60)42-50;1-46-20-32-57(33-21-46)67(55-16-10-6-11-17-55)59-38-26-49(27-39-59)51-30-42-61-62-43-31-52(45-64(62)65(2,3)63(61)44-51)50-28-40-60(41-29-50)68(56-18-12-7-13-19-56)58-36-24-48(25-37-58)47-22-34-54(35-23-47)66(4)53-14-8-5-9-15-53;2*1-3-2/h5-52H,53-54H2,1-4H3;7-44H,1-6H3;5-45H,1-4H3;2*3H,1H2,2H3
InChIKeyJJIJSBNGSMLHDK-UHFFFAOYSA-N
MW2914.94 g/mol
LogP60.55
Rot. Bonds33

About N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)

N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene) (PubChem CID 158933288) has the molecular formula C219H185N7 and a molecular weight of 2914.94 g/mol. Its IUPAC name is N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene).

Molecular Properties

Compound NameN-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)
PubChem CID158933288
Molecular FormulaC219H185N7
Molecular Weight2914.94 g/mol
Exact Mass2912.47
IUPAC NameN-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)
SMILESC=CC.C=CC.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(C)c8ccccc8)cc7)cc6)cc5)ccc3-4)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(C)ccc7-8)cc6)cc5)ccc3-4)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(Cc7ccccc7)(Cc7ccccc7)c7cc(C)ccc7-8)cc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C80H64N2.C68H56N2.C65H53N3.2C3H6/c1-55-25-37-67(38-26-55)81(65-21-13-7-14-22-65)68-39-28-59(29-40-68)62-34-46-71-72-47-35-63(51-76(72)79(3,4)75(71)50-62)60-30-41-69(42-31-60)82(66-23-15-8-16-24-66)70-43-32-61(33-44-70)64-36-48-74-73-45-27-56(2)49-77(73)80(78(74)52-64,53-57-17-9-5-10-18-57)54-58-19-11-6-12-20-58;1-45-17-29-55(30-18-45)69(53-13-9-7-10-14-53)56-31-20-48(21-32-56)51-27-39-61-62-40-28-52(44-66(62)68(5,6)65(61)43-51)49-24-35-58(36-25-49)70(54-15-11-8-12-16-54)57-33-22-47(23-34-57)50-26-38-60-59-37-19-46(2)41-63(59)67(3,4)64(60)42-50;1-46-20-32-57(33-21-46)67(55-16-10-6-11-17-55)59-38-26-49(27-39-59)51-30-42-61-62-43-31-52(45-64(62)65(2,3)63(61)44-51)50-28-40-60(41-29-50)68(56-18-12-7-13-19-56)58-36-24-48(25-37-58)47-22-34-54(35-23-47)66(4)53-14-8-5-9-15-53;2*1-3-2/h5-52H,53-54H2,1-4H3;7-44H,1-6H3;5-45H,1-4H3;2*3H,1H2,2H3
InChIKeyJJIJSBNGSMLHDK-UHFFFAOYSA-N
XLogP60.55
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds33
Heavy Atoms226
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002914.94
LogP ≤ 560.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)?
The IUPAC name of N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene) (CID 158933288) is N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene).
What is the SMILES notation for N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)?
The canonical SMILES for N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene) is C=CC.C=CC.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(C)c8ccccc8)cc7)cc6)cc5)ccc3-4)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(C)ccc7-8)cc6)cc5)ccc3-4)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(Cc7ccccc7)(Cc7ccccc7)c7cc(C)ccc7-8)cc6)cc5)ccc3-4)cc2)cc1.
What is the InChIKey of N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)?
The InChIKey is JJIJSBNGSMLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H64N2.C68H56N2.C65H53N3.2C3H6/c1-55-25-37-67(38-26-55)81(65-21-13-7-14-22-65)68-39-28-59(29-40-68)62-34-46-71-72-47-35-63(51-76(72)79(3,4)75(71)50-62)60-30-41-69(42-31-60)82(66-23-15-8-16-24-66)70-43-32-61(33-44-70)64-36-48-74-73-45-27-56(2)49-77(73)80(78(74)52-64,53-57-17-9-5-10-18-57)54-58-19-11-6-12-20-58;1-45-17-29-55(30-18-45)69(53-13-9-7-10-14-53)56-31-20-48(21-32-56)51-27-39-61-62-40-28-52(44-66(62)68(5,6)65(61)43-51)49-24-35-58(36-25-49)70(54-15-11-8-12-16-54)57-33-22-47(23-34-57)50-26-38-60-59-37-19-46(2)41-63(59)67(3,4)64(60)42-50;1-46-20-32-57(33-21-46)67(55-16-10-6-11-17-55)59-38-26-49(27-39-59)51-30-42-61-62-43-31-52(45-64(62)65(2,3)63(61)44-51)50-28-40-60(41-29-50)68(56-18-12-7-13-19-56)58-36-24-48(25-37-58)47-22-34-54(35-23-47)66(4)53-14-8-5-9-15-53;2*1-3-2/h5-52H,53-54H2,1-4H3;7-44H,1-6H3;5-45H,1-4H3;2*3H,1H2,2H3.
What are the key properties of N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)?
N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene) has a molecular weight of 2914.94 g/mol, XLogP of 60.55, 33 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene) is sourced from PubChem (CID 158933288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).