6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine

C72H48N2 — CID 168775197

IUPAC6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc4ccccc4c32)cc1
InChIInChI=1S/C72H48N2/c1-6-25-50(26-7-1)71(51-27-8-2-9-28-51)63-39-21-18-36-58(63)60-45-43-56(48-66(60)71)74(54-33-14-5-15-34-54)68-46-49-24-16-17-35-57(49)70-69(68)62-38-20-23-41-65(62)72(70)64-40-22-19-37-59(64)61-44-42-55(47-67(61)72)73(52-29-10-3-11-30-52)53-31-12-4-13-32-53/h1-48H
InChIKeyFQPZYDCHTZNIAA-UHFFFAOYSA-N
MW941.19 g/mol
LogP18.49
Rot. Bonds8

About 6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine

6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine (PubChem CID 168775197) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is 6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine.

Molecular Properties

Compound Name6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
PubChem CID168775197
Molecular FormulaC72H48N2
Molecular Weight941.19 g/mol
Exact Mass940.38
IUPAC Name6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc4ccccc4c32)cc1
InChIInChI=1S/C72H48N2/c1-6-25-50(26-7-1)71(51-27-8-2-9-28-51)63-39-21-18-36-58(63)60-45-43-56(48-66(60)71)74(54-33-14-5-15-34-54)68-46-49-24-16-17-35-57(49)70-69(68)62-38-20-23-41-65(62)72(70)64-40-22-19-37-59(64)61-44-42-55(47-67(61)72)73(52-29-10-3-11-30-52)53-31-12-4-13-32-53/h1-48H
InChIKeyFQPZYDCHTZNIAA-UHFFFAOYSA-N
XLogP18.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
CID 168775270
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170373487
6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775309
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929337
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 164929469
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline
CID 170412944
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 159852016

Frequently Asked Questions

What is the IUPAC name of 6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine?
The IUPAC name of 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) is 6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine.
What is the SMILES notation for 6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine?
The canonical SMILES for 6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc4ccccc4c32)cc1.
What is the InChIKey of 6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine?
The InChIKey is FQPZYDCHTZNIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-6-25-50(26-7-1)71(51-27-8-2-9-28-51)63-39-21-18-36-58(63)60-45-43-56(48-66(60)71)74(54-33-14-5-15-34-54)68-46-49-24-16-17-35-57(49)70-69(68)62-38-20-23-41-65(62)72(70)64-40-22-19-37-59(64)61-44-42-55(47-67(61)72)73(52-29-10-3-11-30-52)53-31-12-4-13-32-53/h1-48H.
What are the key properties of 6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine?
6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine has a molecular weight of 941.19 g/mol, XLogP of 18.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine is sourced from PubChem (CID 168775197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).