9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C134H98N2 — CID 162172541

IUPAC9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.CC1(C)c2cc(-c3ccc(-c4cccc5ccccc45)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/2C67H49N/c1-67(2)65-44-57(54-28-30-56(31-29-54)62-19-11-17-55-16-9-10-18-61(55)62)36-42-63(65)64-43-41-60(45-66(64)67)68(58-37-32-52(33-38-58)50-24-20-48(21-25-50)46-12-5-3-6-13-46)59-39-34-53(35-40-59)51-26-22-49(23-27-51)47-14-7-4-8-15-47;1-67(2)65-44-59(56-27-25-55(26-28-56)58-30-29-48-15-9-10-16-57(48)43-58)35-41-63(65)64-42-40-62(45-66(64)67)68(60-36-31-53(32-37-60)51-21-17-49(18-22-51)46-11-5-3-6-12-46)61-38-33-54(34-39-61)52-23-19-50(20-24-52)47-13-7-4-8-14-47/h2*3-45H,1-2H3
InChIKeyZNZBIBQITRVTHU-UHFFFAOYSA-N
MW1736.27 g/mol
LogP37.24
Rot. Bonds18

About 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 162172541) has the molecular formula C134H98N2 and a molecular weight of 1736.27 g/mol. Its IUPAC name is 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID162172541
Molecular FormulaC134H98N2
Molecular Weight1736.27 g/mol
Exact Mass1734.77
IUPAC Name9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.CC1(C)c2cc(-c3ccc(-c4cccc5ccccc45)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/2C67H49N/c1-67(2)65-44-57(54-28-30-56(31-29-54)62-19-11-17-55-16-9-10-18-61(55)62)36-42-63(65)64-43-41-60(45-66(64)67)68(58-37-32-52(33-38-58)50-24-20-48(21-25-50)46-12-5-3-6-13-46)59-39-34-53(35-40-59)51-26-22-49(23-27-51)47-14-7-4-8-15-47;1-67(2)65-44-59(56-27-25-55(26-28-56)58-30-29-48-15-9-10-16-57(48)43-58)35-41-63(65)64-42-40-62(45-66(64)67)68(60-36-31-53(32-37-60)51-21-17-49(18-22-51)46-11-5-3-6-12-46)61-38-33-54(34-39-61)52-23-19-50(20-24-52)47-13-7-4-8-14-47/h2*3-45H,1-2H3
InChIKeyZNZBIBQITRVTHU-UHFFFAOYSA-N
XLogP37.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms136
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001736.27
LogP ≤ 537.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 162172541) is 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.CC1(C)c2cc(-c3ccc(-c4cccc5ccccc45)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is ZNZBIBQITRVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C67H49N/c1-67(2)65-44-57(54-28-30-56(31-29-54)62-19-11-17-55-16-9-10-18-61(55)62)36-42-63(65)64-43-41-60(45-66(64)67)68(58-37-32-52(33-38-58)50-24-20-48(21-25-50)46-12-5-3-6-13-46)59-39-34-53(35-40-59)51-26-22-49(23-27-51)47-14-7-4-8-15-47;1-67(2)65-44-59(56-27-25-55(26-28-56)58-30-29-48-15-9-10-16-57(48)43-58)35-41-63(65)64-42-40-62(45-66(64)67)68(60-36-31-53(32-37-60)51-21-17-49(18-22-51)46-11-5-3-6-12-46)61-38-33-54(34-39-61)52-23-19-50(20-24-52)47-13-7-4-8-14-47/h2*3-45H,1-2H3.
What are the key properties of 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 1736.27 g/mol, XLogP of 37.24, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 162172541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).