N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine

C70H43N — CID 134194037

IUPACN-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4ccccc34)cc2)cc1
InChIInChI=1S/C70H43N/c1-2-16-44(17-3-1)45-30-34-48(35-31-45)71(49-36-39-57-58-38-32-47-19-5-7-21-52(47)68(58)70(65(57)42-49)62-28-14-10-24-55(62)56-25-11-15-29-63(56)70)50-37-40-59-66(43-50)69(64-41-33-46-18-4-6-20-51(46)67(59)64)60-26-12-8-22-53(60)54-23-9-13-27-61(54)69/h1-43H
InChIKeyGKNKHBASWSKMMH-UHFFFAOYSA-N
MW898.12 g/mol
LogP17.82
Rot. Bonds4

About N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine

N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine (PubChem CID 134194037) has the molecular formula C70H43N and a molecular weight of 898.12 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
PubChem CID134194037
Molecular FormulaC70H43N
Molecular Weight898.12 g/mol
Exact Mass897.34
IUPAC NameN-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4ccccc34)cc2)cc1
InChIInChI=1S/C70H43N/c1-2-16-44(17-3-1)45-30-34-48(35-31-45)71(49-36-39-57-58-38-32-47-19-5-7-21-52(47)68(58)70(65(57)42-49)62-28-14-10-24-55(62)56-25-11-15-29-63(56)70)50-37-40-59-66(43-50)69(64-41-33-46-18-4-6-20-51(46)67(59)64)60-26-12-8-22-53(60)54-23-9-13-27-61(54)69/h1-43H
InChIKeyGKNKHBASWSKMMH-UHFFFAOYSA-N
XLogP17.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.12
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193952
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134240776
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylphenyl)fluoren-2-amine
CID 130380017
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 159953736
7-N',7-N',17-N',17-N'-tetraphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
CID 137495014
N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
CID 164730880
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
The IUPAC name of N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine (CID 134194037) is N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
The InChIKey is GKNKHBASWSKMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N/c1-2-16-44(17-3-1)45-30-34-48(35-31-45)71(49-36-39-57-58-38-32-47-19-5-7-21-52(47)68(58)70(65(57)42-49)62-28-14-10-24-55(62)56-25-11-15-29-63(56)70)50-37-40-59-66(43-50)69(64-41-33-46-18-4-6-20-51(46)67(59)64)60-26-12-8-22-53(60)54-23-9-13-27-61(54)69/h1-43H.
What are the key properties of N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine has a molecular weight of 898.12 g/mol, XLogP of 17.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine is sourced from PubChem (CID 134194037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).