N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine

C63H45N — CID 171453618

IUPACN-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C63H45N/c1-62(47-24-8-3-9-25-47)57-34-17-14-32-53(57)55-40-38-51(43-59(55)62)64(50-30-20-23-45(41-50)44-21-6-2-7-22-44)61-36-19-16-31-52(61)46-37-39-56-54-33-15-18-35-58(54)63(60(56)42-46,48-26-10-4-11-27-48)49-28-12-5-13-29-49/h2-43H,1H3
InChIKeySBCWUIOOBQRJIX-UHFFFAOYSA-N
MW816.06 g/mol
LogP16.19
Rot. Bonds8

About N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine

N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 171453618) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine
PubChem CID171453618
Molecular FormulaC63H45N
Molecular Weight816.06 g/mol
Exact Mass815.36
IUPAC NameN-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C63H45N/c1-62(47-24-8-3-9-25-47)57-34-17-14-32-53(57)55-40-38-51(43-59(55)62)64(50-30-20-23-45(41-50)44-21-6-2-7-22-44)61-36-19-16-31-52(61)46-37-39-56-54-33-15-18-35-58(54)63(60(56)42-46,48-26-10-4-11-27-48)49-28-12-5-13-29-49/h2-43H,1H3
InChIKeySBCWUIOOBQRJIX-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 159688731
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 171453283
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453735
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159940117
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
N-[7-[3-[3-[2-(N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-2-phenylanilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 139469384
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422575
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321503

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine (CID 171453618) is N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.
What is the InChIKey of N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine?
The InChIKey is SBCWUIOOBQRJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N/c1-62(47-24-8-3-9-25-47)57-34-17-14-32-53(57)55-40-38-51(43-59(55)62)64(50-30-20-23-45(41-50)44-21-6-2-7-22-44)61-36-19-16-31-52(61)46-37-39-56-54-33-15-18-35-58(54)63(60(56)42-46,48-26-10-4-11-27-48)49-28-12-5-13-29-49/h2-43H,1H3.
What are the key properties of N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine?
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 816.06 g/mol, XLogP of 16.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171453618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).