N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine

C65H51N — CID 159323386

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5ccccc5c3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5ccccc5c3-4)cccc21
InChIInChI=1S/C65H51N/c1-63(2)53-29-18-17-28-48(53)62-54(63)30-19-31-59(62)66(42-32-34-49-55(36-42)64(3,4)57-38-51(40-20-9-7-10-21-40)44-24-13-15-26-46(44)60(49)57)43-33-35-50-56(37-43)65(5,6)58-39-52(41-22-11-8-12-23-41)45-25-14-16-27-47(45)61(50)58/h7-39H,1-6H3
InChIKeyRPFKYNDLDAUQKQ-UHFFFAOYSA-N
MW846.13 g/mol
LogP17.72
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine

N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine (PubChem CID 159323386) has the molecular formula C65H51N and a molecular weight of 846.13 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine
PubChem CID159323386
Molecular FormulaC65H51N
Molecular Weight846.13 g/mol
Exact Mass845.40
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5ccccc5c3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5ccccc5c3-4)cccc21
InChIInChI=1S/C65H51N/c1-63(2)53-29-18-17-28-48(53)62-54(63)30-19-31-59(62)66(42-32-34-49-55(36-42)64(3,4)57-38-51(40-20-9-7-10-21-40)44-24-13-15-26-46(44)60(49)57)43-33-35-50-56(37-43)65(5,6)58-39-52(41-22-11-8-12-23-41)45-25-14-16-27-47(45)61(50)58/h7-39H,1-6H3
InChIKeyRPFKYNDLDAUQKQ-UHFFFAOYSA-N
XLogP17.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.13
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170373587
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 167285837
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 169285223
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine (CID 159323386) is N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5ccccc5c3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5ccccc5c3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine?
The InChIKey is RPFKYNDLDAUQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H51N/c1-63(2)53-29-18-17-28-48(53)62-54(63)30-19-31-59(62)66(42-32-34-49-55(36-42)64(3,4)57-38-51(40-20-9-7-10-21-40)44-24-13-15-26-46(44)60(49)57)43-33-35-50-56(37-43)65(5,6)58-39-52(41-22-11-8-12-23-41)45-25-14-16-27-47(45)61(50)58/h7-39H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine has a molecular weight of 846.13 g/mol, XLogP of 17.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine is sourced from PubChem (CID 159323386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).