N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine

C75H53N — CID 164929337

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc3ccccc3c21
InChIInChI=1S/C75H53N/c1-73(2)64-38-20-18-35-62(64)71-69(48-51-24-15-16-33-59(51)72(71)73)76(57-46-47-61-60-34-17-21-39-65(60)75(68(61)49-57,54-29-11-5-12-30-54)55-31-13-6-14-32-55)56-44-42-50(43-45-56)58-37-23-41-67-70(58)63-36-19-22-40-66(63)74(67,52-25-7-3-8-26-52)53-27-9-4-10-28-53/h3-49H,1-2H3
InChIKeyDRWBHILLLINGPM-UHFFFAOYSA-N
MW968.26 g/mol
LogP19.01
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine (PubChem CID 164929337) has the molecular formula C75H53N and a molecular weight of 968.26 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
PubChem CID164929337
Molecular FormulaC75H53N
Molecular Weight968.26 g/mol
Exact Mass967.42
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc3ccccc3c21
InChIInChI=1S/C75H53N/c1-73(2)64-38-20-18-35-62(64)71-69(48-51-24-15-16-33-59(51)72(71)73)76(57-46-47-61-60-34-17-21-39-65(60)75(68(61)49-57,54-29-11-5-12-30-54)55-31-13-6-14-32-55)56-44-42-50(43-45-56)58-37-23-41-67-70(58)63-36-19-22-40-66(63)74(67,52-25-7-3-8-26-52)53-27-9-4-10-28-53/h3-49H,1-2H3
InChIKeyDRWBHILLLINGPM-UHFFFAOYSA-N
XLogP19.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.26
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364
N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine
CID 164929573
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
CID 170373098
N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine
CID 166048549
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine
CID 164929284
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 164929469
6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
CID 168775197
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929236

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine (CID 164929337) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc3ccccc3c21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine?
The InChIKey is DRWBHILLLINGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H53N/c1-73(2)64-38-20-18-35-62(64)71-69(48-51-24-15-16-33-59(51)72(71)73)76(57-46-47-61-60-34-17-21-39-65(60)75(68(61)49-57,54-29-11-5-12-30-54)55-31-13-6-14-32-55)56-44-42-50(43-45-56)58-37-23-41-67-70(58)63-36-19-22-40-66(63)74(67,52-25-7-3-8-26-52)53-27-9-4-10-28-53/h3-49H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine has a molecular weight of 968.26 g/mol, XLogP of 19.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine is sourced from PubChem (CID 164929337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).