9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine

C69H58N2O — CID 139396285

IUPAC9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine
SMILESCC(C)(C)c1ccc(N(C2=CC=CC3C=CC=CC23)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5ccccc45)c4ccccc4c2-3)cc1
InChIInChI=1S/C69H58N2O/c1-67(2,3)47-33-37-49(38-34-47)70(61-29-17-21-45-19-7-9-23-52(45)61)51-41-42-56-59(43-51)69(57-27-13-15-31-64(57)72-65-32-16-14-28-58(65)69)60-44-63(54-25-11-12-26-55(54)66(56)60)71(50-39-35-48(36-40-50)68(4,5)6)62-30-18-22-46-20-8-10-24-53(46)62/h7-45,52H,1-6H3
InChIKeyNASVXXHIBHPZGP-UHFFFAOYSA-N
MW931.24 g/mol
LogP18.48
Rot. Bonds6

About 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine

9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine (PubChem CID 139396285) has the molecular formula C69H58N2O and a molecular weight of 931.24 g/mol. Its IUPAC name is 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine.

Molecular Properties

Compound Name9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine
PubChem CID139396285
Molecular FormulaC69H58N2O
Molecular Weight931.24 g/mol
Exact Mass930.45
IUPAC Name9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine
SMILESCC(C)(C)c1ccc(N(C2=CC=CC3C=CC=CC23)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5ccccc45)c4ccccc4c2-3)cc1
InChIInChI=1S/C69H58N2O/c1-67(2,3)47-33-37-49(38-34-47)70(61-29-17-21-45-19-7-9-23-52(45)61)51-41-42-56-59(43-51)69(57-27-13-15-31-64(57)72-65-32-16-14-28-58(65)69)60-44-63(54-25-11-12-26-55(54)66(56)60)71(50-39-35-48(36-40-50)68(4,5)6)62-30-18-22-46-20-8-10-24-53(46)62/h7-45,52H,1-6H3
InChIKeyNASVXXHIBHPZGP-UHFFFAOYSA-N
XLogP18.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.24
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
5-N,9-N-bis(4-tert-butylphenyl)-5-N,9-N-bis(3-methylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 167178435
2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174280707
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 90139898
2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282244
2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 174293743
N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159612768
7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
CID 134432693
N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476834
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
9-[4-(4-tert-butyl-N-naphthalen-2-ylanilino)phenyl]-N-(4-tert-butylphenyl)-N-naphthalen-2-ylspiro[benzo[c]fluorene-7,9'-thioxanthene]-5-amine
CID 118521053
3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 164707122

Frequently Asked Questions

What is the IUPAC name of 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine?
The IUPAC name of 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine (CID 139396285) is 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine.
What is the SMILES notation for 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine?
The canonical SMILES for 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine is CC(C)(C)c1ccc(N(C2=CC=CC3C=CC=CC23)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5ccccc45)c4ccccc4c2-3)cc1.
What is the InChIKey of 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine?
The InChIKey is NASVXXHIBHPZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58N2O/c1-67(2,3)47-33-37-49(38-34-47)70(61-29-17-21-45-19-7-9-23-52(45)61)51-41-42-56-59(43-51)69(57-27-13-15-31-64(57)72-65-32-16-14-28-58(65)69)60-44-63(54-25-11-12-26-55(54)66(56)60)71(50-39-35-48(36-40-50)68(4,5)6)62-30-18-22-46-20-8-10-24-53(46)62/h7-45,52H,1-6H3.
What are the key properties of 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine?
9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine has a molecular weight of 931.24 g/mol, XLogP of 18.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine is sourced from PubChem (CID 139396285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).