2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C63H45N — CID 170303468

IUPAC2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c3ccc3ccccc34)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21
InChIInChI=1S/C63H45N/c1-63(2)57-33-12-8-26-52(57)53-40-38-45(41-58(53)63)47-25-9-13-34-59(47)64(60-35-14-10-27-54(60)50-31-18-30-49-46-24-7-6-21-43(46)37-39-51(49)50)61-36-15-11-28-55(61)56-32-17-23-44-22-16-29-48(62(44)56)42-19-4-3-5-20-42/h3-41H,1-2H3
InChIKeyGUADZSRWDKWGMV-UHFFFAOYSA-N
MW816.06 g/mol
LogP17.59
Rot. Bonds7

About 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170303468) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170303468
Molecular FormulaC63H45N
Molecular Weight816.06 g/mol
Exact Mass815.36
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c3ccc3ccccc34)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21
InChIInChI=1S/C63H45N/c1-63(2)57-33-12-8-26-52(57)53-40-38-45(41-58(53)63)47-25-9-13-34-59(47)64(60-35-14-10-27-54(60)50-31-18-30-49-46-24-7-6-21-43(46)37-39-51(49)50)61-36-15-11-28-55(61)56-32-17-23-44-22-16-29-48(62(44)56)42-19-4-3-5-20-42/h3-41H,1-2H3
InChIKeyGUADZSRWDKWGMV-UHFFFAOYSA-N
XLogP17.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303385
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302488
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 169285223
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
CID 170216761
2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170217562
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
3,5-ditert-butyl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291554
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-4-amine
CID 170140136
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304314

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170303468) is 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c3ccc3ccccc34)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is GUADZSRWDKWGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N/c1-63(2)57-33-12-8-26-52(57)53-40-38-45(41-58(53)63)47-25-9-13-34-59(47)64(60-35-14-10-27-54(60)50-31-18-30-49-46-24-7-6-21-43(46)37-39-51(49)50)61-36-15-11-28-55(61)56-32-17-23-44-22-16-29-48(62(44)56)42-19-4-3-5-20-42/h3-41H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 816.06 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170303468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).