N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine

C91H72N2 — CID 59246131

IUPACN-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(C)cc8)c8cc9ccccc9c9ccccc89)ccc6-7)ccc4-5)ccc2-3)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C91H72N2/c1-57-25-37-65(38-26-57)92(87-53-63-17-9-11-19-69(63)71-21-13-15-23-79(71)87)67-41-47-77-75-45-35-61(51-83(75)90(5,6)85(77)55-67)31-29-59-33-43-73-74-44-34-60(50-82(74)89(3,4)81(73)49-59)30-32-62-36-46-76-78-48-42-68(56-86(78)91(7,8)84(76)52-62)93(66-39-27-58(2)28-40-66)88-54-64-18-10-12-20-70(64)72-22-14-16-24-80(72)88/h9-56H,1-8H3/b31-29+,32-30+
InChIKeyFMLQYIAOHNQQMC-JWTBXLROSA-N
MW1193.59 g/mol
LogP25.12
Rot. Bonds10

About N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine

N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine (PubChem CID 59246131) has the molecular formula C91H72N2 and a molecular weight of 1193.59 g/mol. Its IUPAC name is N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
PubChem CID59246131
Molecular FormulaC91H72N2
Molecular Weight1193.59 g/mol
Exact Mass1192.57
IUPAC NameN-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(C)cc8)c8cc9ccccc9c9ccccc89)ccc6-7)ccc4-5)ccc2-3)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C91H72N2/c1-57-25-37-65(38-26-57)92(87-53-63-17-9-11-19-69(63)71-21-13-15-23-79(71)87)67-41-47-77-75-45-35-61(51-83(75)90(5,6)85(77)55-67)31-29-59-33-43-73-74-44-34-60(50-82(74)89(3,4)81(73)49-59)30-32-62-36-46-76-78-48-42-68(56-86(78)91(7,8)84(76)52-62)93(66-39-27-58(2)28-40-66)88-54-64-18-10-12-20-70(64)72-22-14-16-24-80(72)88/h9-56H,1-8H3/b31-29+,32-30+
InChIKeyFMLQYIAOHNQQMC-JWTBXLROSA-N
XLogP25.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.59
LogP ≤ 525.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine
CID 59246566
9,9-dimethyl-2-N,7-N-di(phenanthren-9-yl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883905
N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
CID 59246329
N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
CID 59246384
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 89068019
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
CID 118428490
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067733
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477

Frequently Asked Questions

What is the IUPAC name of N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine?
The IUPAC name of N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine (CID 59246131) is N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine is Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(C)cc8)c8cc9ccccc9c9ccccc89)ccc6-7)ccc4-5)ccc2-3)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine?
The InChIKey is FMLQYIAOHNQQMC-JWTBXLROSA-N. The full InChI is InChI=1S/C91H72N2/c1-57-25-37-65(38-26-57)92(87-53-63-17-9-11-19-69(63)71-21-13-15-23-79(71)87)67-41-47-77-75-45-35-61(51-83(75)90(5,6)85(77)55-67)31-29-59-33-43-73-74-44-34-60(50-82(74)89(3,4)81(73)49-59)30-32-62-36-46-76-78-48-42-68(56-86(78)91(7,8)84(76)52-62)93(66-39-27-58(2)28-40-66)88-54-64-18-10-12-20-70(64)72-22-14-16-24-80(72)88/h9-56H,1-8H3/b31-29+,32-30+.
What are the key properties of N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine?
N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine has a molecular weight of 1193.59 g/mol, XLogP of 25.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine is sourced from PubChem (CID 59246131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).