6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine

C69H45N3O — CID 155483246

IUPAC6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccc(N(c4ccccc4)c4cccc5c4oc4c(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cccc45)cc32)cc1
InChIInChI=1S/C69H45N3O/c1-3-23-50(24-4-1)70(54-41-42-62-66(45-54)72(51-25-5-2-6-26-51)63-34-16-15-33-61(63)69(62)59-31-13-11-27-55(59)56-28-12-14-32-60(56)69)64-35-17-29-57-58-30-18-36-65(68(58)73-67(57)64)71(52-39-37-46-19-7-9-21-48(46)43-52)53-40-38-47-20-8-10-22-49(47)44-53/h1-45H
InChIKeyRLDDNTQMHKFZBT-UHFFFAOYSA-N
MW932.14 g/mol
LogP18.98
Rot. Bonds7

About 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine

6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine (PubChem CID 155483246) has the molecular formula C69H45N3O and a molecular weight of 932.14 g/mol. Its IUPAC name is 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine
PubChem CID155483246
Molecular FormulaC69H45N3O
Molecular Weight932.14 g/mol
Exact Mass931.36
IUPAC Name6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccc(N(c4ccccc4)c4cccc5c4oc4c(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cccc45)cc32)cc1
InChIInChI=1S/C69H45N3O/c1-3-23-50(24-4-1)70(54-41-42-62-66(45-54)72(51-25-5-2-6-26-51)63-34-16-15-33-61(63)69(62)59-31-13-11-27-55(59)56-28-12-14-32-60(56)69)64-35-17-29-57-58-30-18-36-65(68(58)73-67(57)64)71(52-39-37-46-19-7-9-21-48(46)43-52)53-40-38-47-20-8-10-22-49(47)44-53/h1-45H
InChIKeyRLDDNTQMHKFZBT-UHFFFAOYSA-N
XLogP18.98
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.14
LogP ≤ 518.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine with MolForge

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Related Compounds

10-N,14-N,14-N-triphenyl-10-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene-10,14-diamine
CID 155483173
1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine
CID 155483433
N-naphthalen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166670
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240889
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166724
9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine
CID 155483232
2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
CID 155483177
N,10-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168805
N-[4-(9-naphthalen-2-ylfluoren-9-yl)phenyl]-N,6-diphenyldibenzofuran-4-amine
CID 138669005
N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 135166717
3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine
CID 167176832
N-[4-[9-[4-(N-dibenzofuran-4-ylanilino)phenyl]-10-phenylacridin-9-yl]phenyl]-N-phenyldibenzofuran-4-amine;4-(9,10-diphenylacridin-9-yl)-N-[4-(9,10-diphenylacridin-9-yl)phenyl]-N-phenylaniline
CID 161331273

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine?
The IUPAC name of 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine (CID 155483246) is 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine.
What is the SMILES notation for 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine?
The canonical SMILES for 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine is c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccc(N(c4ccccc4)c4cccc5c4oc4c(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cccc45)cc32)cc1.
What is the InChIKey of 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine?
The InChIKey is RLDDNTQMHKFZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N3O/c1-3-23-50(24-4-1)70(54-41-42-62-66(45-54)72(51-25-5-2-6-26-51)63-34-16-15-33-61(63)69(62)59-31-13-11-27-55(59)56-28-12-14-32-60(56)69)64-35-17-29-57-58-30-18-36-65(68(58)73-67(57)64)71(52-39-37-46-19-7-9-21-48(46)43-52)53-40-38-47-20-8-10-22-49(47)44-53/h1-45H.
What are the key properties of 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine?
6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine has a molecular weight of 932.14 g/mol, XLogP of 18.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine is sourced from PubChem (CID 155483246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).